CID 88052

N-formyl-l-aspartic acid

Structural Information

Molecular Formula
C5H7NO5
SMILES
C([C@@H](C(=O)O)NC=O)C(=O)O
InChI
InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
InChIKey
MQUUQXIFCBBFDP-VKHMYHEASA-N
Compound name
(2S)-2-formamidobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

196
Patents

161.03242 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03970 129.9
[M+Na]+ 184.02164 135.7
[M-H]- 160.02514 127.5
[M+NH4]+ 179.06624 148.4
[M+K]+ 199.99558 135.9
[M+H-H2O]+ 144.02968 124.9
[M+HCOO]- 206.03062 150.8
[M+CH3COO]- 220.04627 174.1
[M+Na-2H]- 182.00709 132.9
[M]+ 161.03187 129.3
[M]- 161.03297 129.3
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