CID 4122516

1-(meta-tolyl)-cycloheptanol

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=CC(=CC=C1)C2(CCCCCC2)O
InChI
InChI=1S/C14H20O/c1-12-7-6-8-13(11-12)14(15)9-4-2-3-5-10-14/h6-8,11,15H,2-5,9-10H2,1H3
InChIKey
MKYLGWYNYOPVSE-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 145.7
[M+Na]+ 227.14063 156.2
[M+NH4]+ 222.18523 155.6
[M+K]+ 243.11457 148.8
[M-H]- 203.14413 149.7
[M+Na-2H]- 225.12608 154.6
[M]+ 204.15086 148.5
[M]- 204.15196 148.5
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.