CID 13930535

2-carbamoyl-2,2-dimethylacetic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC(C)(C(=O)N)C(=O)O
InChI
InChI=1S/C5H9NO3/c1-5(2,3(6)7)4(8)9/h1-2H3,(H2,6,7)(H,8,9)
InChIKey
VTULMVFTYNCYTA-UHFFFAOYSA-N
Compound name
3-amino-2,2-dimethyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

116
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 125.2
[M+Na]+ 154.047458 132.1
[M-H]- 130.050964 124.1
[M+NH4]+ 149.092063 145.9
[M+K]+ 170.021398 132.3
[M+H-H2O]+ 114.055500 121.3
[M+HCOO]- 176.056441 145.8
[M+CH3COO]- 190.072091 171.8
[M+Na-2H]- 152.032906 129.7
[M]+ 131.05769142 123.5
[M]- 131.05878858 123.5
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