CID 317542

4845-04-9

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CCC(=CC1)CO

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2

InChIKey

QBJOHGAEIAUULA-UHFFFAOYSA-N

Compound name

cyclohexen-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1519
Patents: 112.08881 Da
Monoisotopic Mass: 1.1
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]+	113.096086	122.3
[M+Na]+	135.078028	128.1
[M-H]-	111.081534	124.1
[M+NH4]+	130.122633	144.3
[M+K]+	151.051968	126.8
[M+H-H2O]+	95.086070	117.5
[M+HCOO]-	157.087011	143.4
[M+CH3COO]-	171.102661	165.3
[M+Na-2H]-	133.063476	129.2
[M]+	112.08826142	118.2
[M]-	112.08935858	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe