CID 97178

1-methylcyclooctanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1(CCCCCCC1)O

InChI

InChI=1S/C9H18O/c1-9(10)7-5-3-2-4-6-8-9/h10H,2-8H2,1H3

InChIKey

YCICXFIRAMLYDV-UHFFFAOYSA-N

Compound name

1-methylcyclooctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 142.13577 Da
Monoisotopic Mass: 2.4
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	144.7
[M+Na]+	165.12499	148.0
[M+NH4]+	160.16959	148.2
[M+K]+	181.09893	146.7
[M-H]-	141.12849	145.4
[M+Na-2H]-	163.11044	148.0
[M]+	142.13522	145.3
[M]-	142.13632	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe