CID 14042

Divinyl glycol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=CC(C(C=C)O)O

InChI

InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2

InChIKey

KUQWZSZYIQGTHT-UHFFFAOYSA-N

Compound name

hexa-1,5-diene-3,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 6531
Patents: 114.06808 Da
Monoisotopic Mass: 0.2
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]+	115.07536	124.1
[M+Na]+	137.05730	130.6
[M-H]-	113.06080	121.7
[M+NH4]+	132.10190	145.3
[M+K]+	153.03124	129.1
[M+H-H2O]+	97.065340	120.3
[M+HCOO]-	159.06628	143.7
[M+CH3COO]-	173.08193	165.6
[M+Na-2H]-	135.04275	127.6
[M]+	114.06753	121.7
[M]-	114.06863	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe