CID 11126191

Pent-4-ene-1,3-diol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C=CC(CCO)O

InChI

InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h2,5-7H,1,3-4H2

InChIKey

XOHPJWXAFXEPJQ-UHFFFAOYSA-N

Compound name

pent-4-ene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 102.06808 Da
Monoisotopic Mass: -0.1
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]+	103.07536	120.3
[M+Na]+	125.05730	129.7
[M+NH4]+	120.10190	127.6
[M+K]+	141.03124	125.3
[M-H]-	101.06080	118.4
[M+Na-2H]-	123.04275	123.0
[M]+	102.06753	120.7
[M]-	102.06863	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe