CID 4451502

Hydroxypropanedial

Structural Information

Molecular Formula

C₃H₄O₃

SMILES

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

InChI

InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H

InChIKey

NVXLIZQNSVLKPO-UHFFFAOYSA-N

Compound name

2-hydroxypropanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 25
References: 3429
Patents: 88.016045 Da
Monoisotopic Mass: -1.2
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]+	89.023321	113.3
[M+Na]+	111.00526	123.3
[M+NH4]+	106.04987	120.5
[M+K]+	126.97920	119.6
[M-H]-	87.008769	111.3
[M+Na-2H]-	108.99071	116.6
[M]+	88.015496	113.8
[M]-	88.016594	113.8

Literature stripe

literature stripe

Patent stripe

patents stripe