CID 138614

2-n-propylcyclohexanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCC1CCCCC1O

InChI

InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3

InChIKey

VZBNUCDUQJCIDP-UHFFFAOYSA-N

Compound name

2-propylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 132
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.14305	133.1
[M+Na]+	165.12499	137.9
[M-H]-	141.12849	134.6
[M+NH4]+	160.16959	154.1
[M+K]+	181.09893	136.4
[M+H-H2O]+	125.13303	128.1
[M+HCOO]-	187.13397	152.0
[M+CH3COO]-	201.14962	172.9
[M+Na-2H]-	163.11044	137.2
[M]+	142.13522	128.6
[M]-	142.13632	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe