CID 131751374

N6-galacturonyl-l-lysine

Structural Information

Molecular Formula
C12H22N2O8
SMILES
C(CCNC1C(C(C(C(O1)C(=O)O)O)O)O)CC(C(=O)O)N
InChI
InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)
InChIKey
CFQJLIHMLCPJQF-UHFFFAOYSA-N
Compound name
6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.1376 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14488 171.9
[M+Na]+ 345.12682 173.4
[M-H]- 321.13032 168.0
[M+NH4]+ 340.17142 179.9
[M+K]+ 361.10076 173.4
[M+H-H2O]+ 305.13486 165.1
[M+HCOO]- 367.13580 182.7
[M+CH3COO]- 381.15145 205.1
[M+Na-2H]- 343.11227 167.9
[M]+ 322.13705 167.2
[M]- 322.13815 167.2
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.