CID 79006608

3-acetamido-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(=O)NCC(C)(C)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-5(9)8-4-7(2,3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)
InChIKey
MUGGYLDPNUJPRL-UHFFFAOYSA-N
Compound name
3-acetamido-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

159.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.2
[M+Na]+ 182.07876 140.3
[M-H]- 158.08226 133.3
[M+NH4]+ 177.12336 154.1
[M+K]+ 198.05270 140.4
[M+H-H2O]+ 142.08680 130.0
[M+HCOO]- 204.08774 154.8
[M+CH3COO]- 218.10339 177.8
[M+Na-2H]- 180.06421 138.7
[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