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]+ 172.09682 134.9
[M+Na]+ 194.07876 142.6
[M-H]- 170.08226 138.3
[M+NH4]+ 189.12336 149.5
[M+K]+ 210.05270 140.5
[M+H-H2O]+ 154.08680 129.9
[M+HCOO]- 216.08774 155.6
[M+CH3COO]- 230.10339 182.7
[M+Na-2H]- 192.06421 139.8
[M]+ 171.08899 136.8
[M]- 171.09009 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.