CID 130591115

(1-methoxycycloheptyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

COC1(CCCCCC1)CO

InChI

InChI=1S/C9H18O2/c1-11-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3

InChIKey

JIPPHBJFGSRPOV-UHFFFAOYSA-N

Compound name

(1-methoxycycloheptyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.13068 Da
Monoisotopic Mass: 1.6
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]+	159.13796	131.4
[M+Na]+	181.11990	134.1
[M-H]-	157.12340	133.9
[M+NH4]+	176.16450	151.7
[M+K]+	197.09384	137.1
[M+H-H2O]+	141.12794	127.2
[M+HCOO]-	203.12888	149.8
[M+CH3COO]-	217.14453	175.7
[M+Na-2H]-	179.10535	136.9
[M]+	158.13013	125.2
[M]-	158.13123	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.