CID 56927962

N(alpha)-citryl-n(epsilon)-acetyl-n(epsilon)-hydroxylysine(3-)

Structural Information

Molecular Formula
C14H22N2O10
SMILES
CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)O
InChI
InChI=1S/C14H22N2O10/c1-8(17)16(26)5-3-2-4-9(12(21)22)15-10(18)6-14(25,13(23)24)7-11(19)20/h9,25-26H,2-7H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t9-,14?/m0/s1
InChIKey
HPOPJZNNZCIWFX-CUVJYRNJSA-N
Compound name
2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

378.12744 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13472 187.8
[M+Na]+ 401.11666 195.3
[M+NH4]+ 396.16126 195.0
[M+K]+ 417.09060 191.0
[M-H]- 377.12016 195.9
[M+Na-2H]- 399.10211 198.4
[M]+ 378.12689 191.0
[M]- 378.12799 191.0
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

patents stripe