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: 228
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]+	143.143046	147.0
[M+Na]+	165.124988	151.0
[M-H]-	141.128494	148.1
[M+NH4]+	160.169593	157.2
[M+K]+	181.098928	151.5
[M+H-H2O]+	125.133030	144.1
[M+HCOO]-	187.133971	155.3
[M+CH3COO]-	201.149621	217.0
[M+Na-2H]-	163.110436	147.6
[M]+	142.13522142	144.4
[M]-	142.13631858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe