CID 15102296

2-phenylcyclohex-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CCC(=C(C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChIKey
OSDFYCJQRZZRQZ-UHFFFAOYSA-N
Compound name
2-phenylcyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

202.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 143.9
[M+Na]+ 225.088598 149.4
[M-H]- 201.092104 148.8
[M+NH4]+ 220.133203 161.8
[M+K]+ 241.062538 146.2
[M+H-H2O]+ 185.096640 137.3
[M+HCOO]- 247.097581 163.9
[M+CH3COO]- 261.113231 182.3
[M+Na-2H]- 223.074046 148.2
[M]+ 202.09883142 139.8
[M]- 202.09992858 139.8
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