CID 15640234

2-(n,2-dimethylpropanamido)acetic acid

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(C)C(=O)N(C)CC(=O)O
InChI
InChI=1S/C7H13NO3/c1-5(2)7(11)8(3)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKey
OUZLKVNNBZFQRE-UHFFFAOYSA-N
Compound name
2-[methyl(2-methylpropanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

159.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.6
[M+Na]+ 182.078758 140.3
[M-H]- 158.082264 135.0
[M+NH4]+ 177.123363 155.0
[M+K]+ 198.052698 141.9
[M+H-H2O]+ 142.086800 129.6
[M+HCOO]- 204.087741 156.3
[M+CH3COO]- 218.103391 182.0
[M+Na-2H]- 180.064206 136.4
[M]+ 159.08899142 135.7
[M]- 159.09008858 135.7
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