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: 264
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	147.0
[M+Na]+	165.12499	151.0
[M-H]-	141.12849	148.1
[M+NH4]+	160.16959	157.2
[M+K]+	181.09893	151.5
[M+H-H2O]+	125.13303	144.1
[M+HCOO]-	187.13397	155.3
[M+CH3COO]-	201.14962	217.0
[M+Na-2H]-	163.11044	147.6
[M]+	142.13522	144.4
[M]-	142.13632	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe