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]+ 323.144876 171.9
[M+Na]+ 345.126818 173.4
[M-H]- 321.130324 168.0
[M+NH4]+ 340.171423 179.9
[M+K]+ 361.100758 173.4
[M+H-H2O]+ 305.134860 165.1
[M+HCOO]- 367.135801 182.7
[M+CH3COO]- 381.151451 205.1
[M+Na-2H]- 343.112266 167.9
[M]+ 322.13705142 167.2
[M]- 322.13814858 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.