CID 169435702

Chitosan, n-(carboxymethyl)

Structural Information

Molecular Formula
C17H30N2O11
SMILES
CO[C@H]1C[C@H]([C@@H](O[C@@H]1CO)O[C@H]2C[C@H]([C@@H](O[C@@H]2CO)O)NCC(=O)O)NCC(=O)O
InChI
InChI=1S/C17H30N2O11/c1-27-10-3-9(19-5-15(24)25)17(30-12(10)6-20)29-11-2-8(18-4-14(22)23)16(26)28-13(11)7-21/h8-13,16-21,26H,2-7H2,1H3,(H,22,23)(H,24,25)/t8-,9-,10+,11+,12-,13-,16-,17-/m1/s1
InChIKey
WCBZGVKKYHFGTB-JOHLXDAUSA-N
Compound name
2-[[(2R,3R,5S,6R)-5-[(2R,3R,5S,6R)-3-(carboxymethylamino)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

438.18497 Da
Monoisotopic Mass

-7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19225 197.2
[M+Na]+ 461.17419 196.0
[M-H]- 437.17769 196.8
[M+NH4]+ 456.21879 199.1
[M+K]+ 477.14813 198.3
[M+H-H2O]+ 421.18223 188.6
[M+HCOO]- 483.18317 204.5
[M+CH3COO]- 497.19882 228.4
[M+Na-2H]- 459.15964 193.8
[M]+ 438.18442 195.5
[M]- 438.18552 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.