CID 57699805

1050496-53-1

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1COCC1CCCO

InChI

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

InChIKey

VGNSJJUNWUMZMR-UHFFFAOYSA-N

Compound name

3-(oxolan-3-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 130.09938 Da
Monoisotopic Mass: 0.5
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	128.0
[M+Na]+	153.08860	133.6
[M-H]-	129.09210	130.1
[M+NH4]+	148.13320	149.6
[M+K]+	169.06254	133.8
[M+H-H2O]+	113.09664	123.2
[M+HCOO]-	175.09758	148.9
[M+CH3COO]-	189.11323	167.4
[M+Na-2H]-	151.07405	133.5
[M]+	130.09883	126.5
[M]-	130.09993	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe