CID 115023701

2-(cycloheptylmethyl)phenol

Structural Information

Molecular Formula
C14H20O
SMILES
C1CCCC(CC1)CC2=CC=CC=C2O
InChI
InChI=1S/C14H20O/c15-14-10-6-5-9-13(14)11-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11H2
InChIKey
YIMHRRHIUNUMCM-UHFFFAOYSA-N
Compound name
2-(cycloheptylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 144.9
[M+Na]+ 227.140628 147.2
[M-H]- 203.144134 150.1
[M+NH4]+ 222.185233 161.6
[M+K]+ 243.114568 148.2
[M+H-H2O]+ 187.148670 139.5
[M+HCOO]- 249.149611 163.0
[M+CH3COO]- 263.165261 185.3
[M+Na-2H]- 225.126076 148.5
[M]+ 204.15086142 136.8
[M]- 204.15195858 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.