CID 25113631

O-citryl-serine

Structural Information

Molecular Formula
C9H13NO9
SMILES
C([C@@H](C(=O)O)N)OC(=O)CC(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C9H13NO9/c10-4(7(14)15)3-19-6(13)2-9(18,8(16)17)1-5(11)12/h4,18H,1-3,10H2,(H,11,12)(H,14,15)(H,16,17)/t4-,9?/m0/s1
InChIKey
VUCUBBUVSXVGGY-HBSVBABPSA-N
Compound name
2-[2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethyl]-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

279.05902 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06630 154.3
[M+Na]+ 302.04824 157.1
[M-H]- 278.05174 148.0
[M+NH4]+ 297.09284 159.8
[M+K]+ 318.02218 158.2
[M+H-H2O]+ 262.05628 149.0
[M+HCOO]- 324.05722 160.4
[M+CH3COO]- 338.07287 191.5
[M+Na-2H]- 300.03369 152.7
[M]+ 279.05847 153.6
[M]- 279.05957 153.6
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

No patent data available for this compound.