CID 22569163

3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(C)(C(=O)N(C)C)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-7(2,6(10)11)5(9)8(3)4/h1-4H3,(H,10,11)
InChIKey
BWONBEUMAJFHTO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

159.08954 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 132.9
[M+Na]+ 182.07876 139.2
[M-H]- 158.08226 133.6
[M+NH4]+ 177.12336 153.5
[M+K]+ 198.05270 140.8
[M+H-H2O]+ 142.08680 128.6
[M+HCOO]- 204.08774 154.0
[M+CH3COO]- 218.10339 181.4
[M+Na-2H]- 180.06421 136.8
[M]+ 159.08899 134.2
[M]- 159.09009 134.2
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