CID 7183008

[(propan-2-yl)carbamoyl]formic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(C)NC(=O)C(=O)O
InChI
InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKey
KBMFHCMLHQGQEB-UHFFFAOYSA-N
Compound name
2-oxo-2-(propan-2-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

103
Patents

131.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.4
[M+Na]+ 154.047458 132.7
[M-H]- 130.050964 125.7
[M+NH4]+ 149.092063 147.3
[M+K]+ 170.021398 133.4
[M+H-H2O]+ 114.055500 121.8
[M+HCOO]- 176.056441 148.2
[M+CH3COO]- 190.072091 171.8
[M+Na-2H]- 152.032906 129.8
[M]+ 131.05769142 125.3
[M]- 131.05878858 125.3
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