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

8
Patents

159.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.2
[M+Na]+ 182.078758 140.3
[M-H]- 158.082264 133.3
[M+NH4]+ 177.123363 154.1
[M+K]+ 198.052698 140.4
[M+H-H2O]+ 142.086800 130.0
[M+HCOO]- 204.087741 154.8
[M+CH3COO]- 218.103391 177.8
[M+Na-2H]- 180.064206 138.7
[M]+ 159.08899142 134.2
[M]- 159.09008858 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