CID 10845028

1-(phenylamino)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC1(C(=O)O)NC2=CC=CC=C2
InChI
InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKey
PEQKOXWTSSMZHA-UHFFFAOYSA-N
Compound name
1-anilinocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 140.7
[M+Na]+ 200.06820 153.3
[M+NH4]+ 195.11280 150.8
[M+K]+ 216.04214 147.3
[M-H]- 176.07170 150.7
[M+Na-2H]- 198.05365 151.9
[M]+ 177.07843 146.5
[M]- 177.07953 146.5
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