CID 227404

Cycloheptaneethanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

C1CCCC(CC1)CCO

InChI

InChI=1S/C9H18O/c10-8-7-9-5-3-1-2-4-6-9/h9-10H,1-8H2

InChIKey

WLPDUJITFJCPFH-UHFFFAOYSA-N

Compound name

2-cycloheptylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 142.13577 Da
Monoisotopic Mass: 3.2
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	128.0
[M+Na]+	165.12499	129.9
[M-H]-	141.12849	130.2
[M+NH4]+	160.16959	147.1
[M+K]+	181.09893	132.6
[M+H-H2O]+	125.13303	123.6
[M+HCOO]-	187.13397	146.2
[M+CH3COO]-	201.14962	174.3
[M+Na-2H]-	163.11044	132.6
[M]+	142.13522	120.2
[M]-	142.13632	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe