CID 78193

Cycloheptylmethanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

C1CCCC(CC1)CO

InChI

InChI=1S/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2

InChIKey

BMCQFFXPECPDPS-UHFFFAOYSA-N

Compound name

cycloheptylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1382
Patents: 128.12012 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.12740	123.6
[M+Na]+	151.10934	125.8
[M-H]-	127.11284	126.0
[M+NH4]+	146.15394	143.2
[M+K]+	167.08328	128.8
[M+H-H2O]+	111.11738	119.4
[M+HCOO]-	173.11832	142.1
[M+CH3COO]-	187.13397	171.4
[M+Na-2H]-	149.09479	128.7
[M]+	128.11957	115.5
[M]-	128.12067	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe