CID 89411824

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

Structural Information

Molecular Formula
C12H10O2
SMILES
C#CC1=CC=C(C=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C12H10O2/c1-2-9-3-5-10(6-4-9)12(7-8-12)11(13)14/h1,3-6H,7-8H2,(H,13,14)
InChIKey
YTBFDYUTPDKOMR-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

186.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 142.0
[M+Na]+ 209.05730 155.3
[M+NH4]+ 204.10190 148.5
[M+K]+ 225.03124 146.3
[M-H]- 185.06080 143.1
[M+Na-2H]- 207.04275 149.5
[M]+ 186.06753 144.6
[M]- 186.06863 144.6
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