CID 5284414

Dtxsid4020793

Structural Information

Molecular Formula

C₃H₄O₂

SMILES

C(=C/O)\C=O

InChI

InChI=1S/C3H4O2/c4-2-1-3-5/h1-4H/b2-1+

InChIKey

GMSHJLUJOABYOM-OWOJBTEDSA-N

Compound name

(E)-3-hydroxyprop-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 72.021126 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]+	73.028402	110.1
[M+Na]+	95.010344	120.9
[M+NH4]+	90.054949	118.0
[M+K]+	110.98428	115.8
[M-H]-	71.013850	108.8
[M+Na-2H]-	92.995792	114.3
[M]+	72.020577	110.9
[M]-	72.021675	110.9

Literature stripe

literature stripe

Patent stripe

patents stripe