CID 57316979

(1-pentylcyclohexyl)methanol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCC1(CCCCC1)CO

InChI

InChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3

InChIKey

ABCHJPQOHVSJSO-UHFFFAOYSA-N

Compound name

(1-pentylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 184.18271 Da
Monoisotopic Mass: 4.3
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]+	185.18999	147.1
[M+Na]+	207.17193	150.5
[M-H]-	183.17543	147.9
[M+NH4]+	202.21653	168.0
[M+K]+	223.14587	148.4
[M+H-H2O]+	167.17997	142.0
[M+HCOO]-	229.18091	165.0
[M+CH3COO]-	243.19656	180.5
[M+Na-2H]-	205.15738	151.2
[M]+	184.18216	143.6
[M]-	184.18326	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe