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

7
Patents

174.06406 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.071336 136.4
[M+Na]+ 197.053278 141.5
[M-H]- 173.056784 134.8
[M+NH4]+ 192.097883 154.6
[M+K]+ 213.027218 141.5
[M+H-H2O]+ 157.061320 130.7
[M+HCOO]- 219.062261 158.6
[M+CH3COO]- 233.077911 180.7
[M+Na-2H]- 195.038726 138.4
[M]+ 174.06351142 134.5
[M]- 174.06460858 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