CID 7858

Allyl alcohol

Structural Information

Molecular Formula

SMILES

C=CCO

InChI

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey

XXROGKLTLUQVRX-UHFFFAOYSA-N

Compound name

prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 991
References: 80471
Patents: 58.041866 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]+	59.049142	107.0
[M+Na]+	81.031084	115.3
[M-H]-	57.034590	106.5
[M+NH4]+	76.075689	131.4
[M+K]+	97.005024	115.0
[M+H-H2O]+	41.039126	103.7
[M+HCOO]-	103.04007	130.7
[M+CH3COO]-	117.05572	156.4
[M+Na-2H]-	79.016532	115.4
[M]+	58.041317	106.0
[M]-	58.042415	106.0

Literature stripe

literature stripe

Patent stripe

patents stripe