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]+ 221.15361 147.5
[M+Na]+ 243.13555 150.7
[M-H]- 219.13905 153.2
[M+NH4]+ 238.18015 163.9
[M+K]+ 259.10949 152.5
[M+H-H2O]+ 203.14359 142.2
[M+HCOO]- 265.14453 165.9
[M+CH3COO]- 279.16018 188.2
[M+Na-2H]- 241.12100 150.5
[M]+ 220.14578 141.2
[M]- 220.14688 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.