CID 4122516

75024-30-5

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]+ 205.158686 145.7
[M+Na]+ 227.140628 149.0
[M-H]- 203.144134 151.4
[M+NH4]+ 222.185233 164.4
[M+K]+ 243.114568 149.7
[M+H-H2O]+ 187.148670 140.6
[M+HCOO]- 249.149611 163.9
[M+CH3COO]- 263.165261 184.8
[M+Na-2H]- 225.126076 150.2
[M]+ 204.15086142 137.8
[M]- 204.15195858 137.8
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.