CID 4474580

Nopalinic acid

Structural Information

Molecular Formula
C10H18N2O6
SMILES
C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN
InChI
InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
UXZAXFPFSQRZOZ-UHFFFAOYSA-N
Compound name
2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

262.1165 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12378 159.6
[M+Na]+ 285.10572 161.3
[M-H]- 261.10922 154.3
[M+NH4]+ 280.15032 172.2
[M+K]+ 301.07966 161.1
[M+H-H2O]+ 245.11376 153.1
[M+HCOO]- 307.11470 175.8
[M+CH3COO]- 321.13035 196.2
[M+Na-2H]- 283.09117 156.2
[M]+ 262.11595 157.1
[M]- 262.11705 157.1
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.