CID 15746743

Sodium 5-(carbamoylamino)-5-oxopentanoate

Structural Information

Molecular Formula
C6H10N2O4
SMILES
C(CC(=O)NC(=O)N)CC(=O)O
InChI
InChI=1S/C6H10N2O4/c7-6(12)8-4(9)2-1-3-5(10)11/h1-3H2,(H,10,11)(H3,7,8,9,12)
InChIKey
LBKJJTGSZIPAFX-UHFFFAOYSA-N
Compound name
5-(carbamoylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.06406 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 136.4
[M+Na]+ 197.05328 141.5
[M-H]- 173.05678 134.8
[M+NH4]+ 192.09788 154.6
[M+K]+ 213.02722 141.5
[M+H-H2O]+ 157.06132 130.7
[M+HCOO]- 219.06226 158.6
[M+CH3COO]- 233.07791 180.7
[M+Na-2H]- 195.03873 138.4
[M]+ 174.06351 134.5
[M]- 174.06461 134.5
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