CID 13627061

2-(dimethylcarbamoyl)acetic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
CN(C)C(=O)CC(=O)O
InChI
InChI=1S/C5H9NO3/c1-6(2)4(7)3-5(8)9/h3H2,1-2H3,(H,8,9)
InChIKey
AKDXGMLXZNIGBD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

131.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.2
[M+Na]+ 154.04746 131.9
[M-H]- 130.05096 125.9
[M+NH4]+ 149.09206 146.8
[M+K]+ 170.02140 133.5
[M+H-H2O]+ 114.05550 120.5
[M+HCOO]- 176.05644 148.5
[M+CH3COO]- 190.07209 175.0
[M+Na-2H]- 152.03291 129.3
[M]+ 131.05769 126.2
[M]- 131.05879 126.2
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