CID 10399

Cycloheptanol

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C1CCCC(CC1)O

InChI

InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2

InChIKey

QCRFMSUKWRQZEM-UHFFFAOYSA-N

Compound name

cycloheptanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 13222
Patents: 114.10446 Da
Monoisotopic Mass: 1.0
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]+	115.11174	120.6
[M+Na]+	137.09368	129.2
[M+NH4]+	132.13828	129.1
[M+K]+	153.06762	125.3
[M-H]-	113.09718	122.2
[M+Na-2H]-	135.07913	126.2
[M]+	114.10391	122.1
[M]-	114.10501	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe