CID 11805193

133992-69-5

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)NC(CC1CC1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-5(10)9-7(8(11)12)4-6-2-3-6/h6-7H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
ZVTFPQYGJPTFQH-UHFFFAOYSA-N
Compound name
2-acetamido-3-cyclopropylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.08954 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.5
[M+Na]+ 194.07876 142.5
[M-H]- 170.08226 138.7
[M+NH4]+ 189.12336 149.9
[M+K]+ 210.05270 140.5
[M+H-H2O]+ 154.08680 129.8
[M+HCOO]- 216.08774 156.8
[M+CH3COO]- 230.10339 183.3
[M+Na-2H]- 192.06421 138.4
[M]+ 171.08899 137.2
[M]- 171.09009 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe