CID 1571307

4-ureido-butyric acid

Structural Information

Molecular Formula
C5H10N2O3
SMILES
C(CC(=O)O)CNC(=O)N
InChI
InChI=1S/C5H10N2O3/c6-5(10)7-3-1-2-4(8)9/h1-3H2,(H,8,9)(H3,6,7,10)
InChIKey
QYTWIMMLQKHPGL-UHFFFAOYSA-N
Compound name
4-(carbamoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

114
Patents

146.06914 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.07642 130.1
[M+Na]+ 169.05836 135.6
[M-H]- 145.06186 128.5
[M+NH4]+ 164.10296 149.6
[M+K]+ 185.03230 135.4
[M+H-H2O]+ 129.06640 124.7
[M+HCOO]- 191.06734 153.1
[M+CH3COO]- 205.08299 176.0
[M+Na-2H]- 167.04381 133.8
[M]+ 146.06859 127.8
[M]- 146.06969 127.8
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