CID 93072

N-carbamoyl-l-aspartate

Structural Information

Molecular Formula
C5H8N2O5
SMILES
C([C@@H](C(=O)O)NC(=O)N)C(=O)O
InChI
InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey
HLKXYZVTANABHZ-REOHCLBHSA-N
Compound name
(2S)-2-(carbamoylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

98
References

944
Patents

176.04332 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.05060 135.9
[M+Na]+ 199.03254 140.0
[M+NH4]+ 194.07714 139.2
[M+K]+ 215.00648 140.7
[M-H]- 175.03604 131.4
[M+Na-2H]- 197.01799 134.7
[M]+ 176.04277 134.2
[M]- 176.04387 134.2
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