CID 15184747

(oxepan-2-yl)methanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1CCC(OCC1)CO

InChI

InChI=1S/C7H14O2/c8-6-7-4-2-1-3-5-9-7/h7-8H,1-6H2

InChIKey

YYZWPDSQTDVVIN-UHFFFAOYSA-N

Compound name

oxepan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 130.09938 Da
Monoisotopic Mass: 0.7
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]+	131.10666	121.4
[M+Na]+	153.08860	124.0
[M-H]-	129.09210	124.5
[M+NH4]+	148.13320	139.7
[M+K]+	169.06254	128.6
[M+H-H2O]+	113.09664	117.0
[M+HCOO]-	175.09758	139.6
[M+CH3COO]-	189.11323	170.3
[M+Na-2H]-	151.07405	128.1
[M]+	130.09883	114.9
[M]-	130.09993	114.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe