CID 22923644

1-cycloheptylethan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(C1CCCCCC1)O

InChI

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

InChIKey

VACFFEJPHIAXMP-UHFFFAOYSA-N

Compound name

1-cycloheptylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 142.13577 Da
Monoisotopic Mass: 2.9
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	127.7
[M+Na]+	165.12499	129.3
[M-H]-	141.12849	130.0
[M+NH4]+	160.16959	146.7
[M+K]+	181.09893	132.6
[M+H-H2O]+	125.13303	123.4
[M+HCOO]-	187.13397	145.0
[M+CH3COO]-	201.14962	175.0
[M+Na-2H]-	163.11044	131.1
[M]+	142.13522	119.3
[M]-	142.13632	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe