CID 11137571

2-cyclopropyl-2-acetamidopropanoic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)NC(C)(C1CC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-5(10)9-8(2,7(11)12)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
VWQKLKHJGPCATE-UHFFFAOYSA-N
Compound name
2-acetamido-2-cyclopropylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 134.9
[M+Na]+ 194.078758 142.6
[M-H]- 170.082264 138.3
[M+NH4]+ 189.123363 149.5
[M+K]+ 210.052698 140.5
[M+H-H2O]+ 154.086800 129.9
[M+HCOO]- 216.087741 155.6
[M+CH3COO]- 230.103391 182.7
[M+Na-2H]- 192.064206 139.8
[M]+ 171.08899142 136.8
[M]- 171.09008858 136.8
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

No patent data available for this compound.