CID 3458144

Chitosan, 2-hydroxypropanoate (ester)

Structural Information

Molecular Formula
C12H24N2O9
SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)O)CO)N)O)O)O
InChI
InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2
InChIKey
QLTSDROPCWIKKY-UHFFFAOYSA-N
Compound name
5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

216
References

5373
Patents

340.1482 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15548 179.7
[M+Na]+ 363.13742 182.7
[M-H]- 339.14092 178.7
[M+NH4]+ 358.18202 185.6
[M+K]+ 379.11136 182.8
[M+H-H2O]+ 323.14546 172.4
[M+HCOO]- 385.14640 187.0
[M+CH3COO]- 399.16205 208.4
[M+Na-2H]- 361.12287 175.8
[M]+ 340.14765 173.3
[M]- 340.14875 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe