CID 16385

Cycloheptanol, 1-phenyl-

Structural Information

Molecular Formula
C13H18O
SMILES
C1CCCC(CC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H18O/c14-13(10-6-1-2-7-11-13)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey
SVBIRSGHXXHJBT-UHFFFAOYSA-N
Compound name
1-phenylcycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

190.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 142.1
[M+Na]+ 213.12499 152.5
[M+NH4]+ 208.16959 152.2
[M+K]+ 229.09893 145.1
[M-H]- 189.12849 146.1
[M+Na-2H]- 211.11044 151.4
[M]+ 190.13522 144.9
[M]- 190.13632 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe