CID 14142031

Refchem:403995

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C=CC1CCC(O1)CO

InChI

InChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h2,6-8H,1,3-5H2

InChIKey

KBCPCIDYIKJEOR-UHFFFAOYSA-N

Compound name

(5-ethenyloxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.08372 Da
Monoisotopic Mass: 0.6
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]+	129.09100	126.2
[M+Na]+	151.07294	133.1
[M-H]-	127.07644	128.8
[M+NH4]+	146.11754	148.1
[M+K]+	167.04688	132.7
[M+H-H2O]+	111.08098	121.8
[M+HCOO]-	173.08192	147.3
[M+CH3COO]-	187.09757	167.6
[M+Na-2H]-	149.05839	131.1
[M]+	128.08317	124.4
[M]-	128.08427	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe