CID 103687

2-methyloxirane-2-carbaldehyde

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

CC1(CO1)C=O

InChI

InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3

InChIKey

ARDBEZFTUVBDOJ-UHFFFAOYSA-N

Compound name

2-methyloxirane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 86.03678 Da
Monoisotopic Mass: -0.4
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]+	87.044056	114.4
[M+Na]+	109.025998	125.4
[M-H]-	85.029504	120.7
[M+NH4]+	104.070603	134.1
[M+K]+	124.999938	126.8
[M+H-H2O]+	69.034040	110.2
[M+HCOO]-	131.034981	138.4
[M+CH3COO]-	145.050631	166.2
[M+Na-2H]-	107.011446	125.2
[M]+	86.03623142	119.4
[M]-	86.03732858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe