CID 64513009

3-(4-methoxyphenyl)cycloheptan-1-ol

Structural Information

Molecular Formula
C14H20O2
SMILES
COC1=CC=C(C=C1)C2CCCCC(C2)O
InChI
InChI=1S/C14H20O2/c1-16-14-8-6-11(7-9-14)12-4-2-3-5-13(15)10-12/h6-9,12-13,15H,2-5,10H2,1H3
InChIKey
KMIGTSIRDDDLHR-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 147.5
[M+Na]+ 243.135548 150.7
[M-H]- 219.139054 153.2
[M+NH4]+ 238.180153 163.9
[M+K]+ 259.109488 152.5
[M+H-H2O]+ 203.143590 142.2
[M+HCOO]- 265.144531 165.9
[M+CH3COO]- 279.160181 188.2
[M+Na-2H]- 241.120996 150.5
[M]+ 220.14578142 141.2
[M]- 220.14687858 141.2
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.