CID 53919771

2230804-13-2

Structural Information

Molecular Formula

SMILES

CC1=C(OC(=O)O1)CN

InChI

InChI=1S/C5H7NO3/c1-3-4(2-6)9-5(7)8-3/h2,6H2,1H3

InChIKey

WIEGQXSJSQWJCK-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-5-methyl-1,3-dioxol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 129.04259 Da
Monoisotopic Mass: -0.5
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]+	130.04987	121.4
[M+Na]+	152.03181	132.6
[M+NH4]+	147.07641	129.0
[M+K]+	168.00575	130.9
[M-H]-	128.03531	124.9
[M+Na-2H]-	150.01726	125.5
[M]+	129.04204	123.8
[M]-	129.04314	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe