CID 4173224

2-(1-cyclohepten-1-yl) benzyl alcohol

Structural Information

Molecular Formula
C14H18O
SMILES
C1CCC=C(CC1)C2=CC=CC=C2CO
InChI
InChI=1S/C14H18O/c15-11-13-9-5-6-10-14(13)12-7-3-1-2-4-8-12/h5-7,9-10,15H,1-4,8,11H2
InChIKey
FQFBWHDZCDRRPF-UHFFFAOYSA-N
Compound name
[2-(cyclohepten-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 143.5
[M+Na]+ 225.124988 146.9
[M-H]- 201.128494 149.2
[M+NH4]+ 220.169593 160.5
[M+K]+ 241.098928 147.8
[M+H-H2O]+ 185.133030 138.3
[M+HCOO]- 247.133971 163.1
[M+CH3COO]- 261.149621 154.9
[M+Na-2H]- 223.110436 148.1
[M]+ 202.13522142 136.8
[M]- 202.13631858 136.8
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

No patent data available for this compound.