CID 110788

2-methoxypropanal

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

CC(C=O)OC

InChI

InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3

InChIKey

HZVKHMQXJYFYRF-UHFFFAOYSA-N

Compound name

2-methoxypropanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1430
Patents: 88.05243 Da
Monoisotopic Mass: 0.0
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]+	89.059706	113.9
[M+Na]+	111.041648	122.1
[M-H]-	87.045154	114.8
[M+NH4]+	106.086253	137.8
[M+K]+	127.015588	123.3
[M+H-H2O]+	71.049690	110.1
[M+HCOO]-	133.050631	138.2
[M+CH3COO]-	147.066281	165.0
[M+Na-2H]-	109.027096	121.0
[M]+	88.05188142	116.1
[M]-	88.05297858	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe