CID 439376

N-formyl-l-glutamic acid

Structural Information

Molecular Formula
C6H9NO5
SMILES
C(CC(=O)O)[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey
ADZLWSMFHHHOBV-BYPYZUCNSA-N
Compound name
(2S)-2-formamidopentanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

103
Patents

175.04807 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.055346 134.5
[M+Na]+ 198.037288 139.9
[M-H]- 174.040794 132.0
[M+NH4]+ 193.081893 152.4
[M+K]+ 214.011228 139.8
[M+H-H2O]+ 158.045330 129.4
[M+HCOO]- 220.046271 155.0
[M+CH3COO]- 234.061921 177.1
[M+Na-2H]- 196.022736 137.0
[M]+ 175.04752142 134.3
[M]- 175.04861858 134.3
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

patents stripe