CID 17832850

1-(4-cyanophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1CC1(C2=CC=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C11H9NO2/c12-7-8-1-3-9(4-2-8)11(5-6-11)10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey
BWTXRFMQBHLPSR-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 142.5
[M+Na]+ 210.05254 155.4
[M+NH4]+ 205.09714 149.1
[M+K]+ 226.02648 146.6
[M-H]- 186.05604 144.3
[M+Na-2H]- 208.03799 150.4
[M]+ 187.06277 145.2
[M]- 187.06387 145.2
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