CID 46942195

3-aminocyclobutanone hydrochloride

Structural Information

Molecular Formula

SMILES

C1C(CC1=O)N

InChI

InChI=1S/C4H7NO/c5-3-1-4(6)2-3/h3H,1-2,5H2

InChIKey

MGCDDLHPXZDVOS-UHFFFAOYSA-N

Compound name

3-aminocyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 85.052765 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]+	86.060041	114.8
[M+Na]+	108.04198	120.7
[M+NH4]+	103.08659	119.6
[M+K]+	124.01592	117.9
[M-H]-	84.045489	113.7
[M+Na-2H]-	106.02743	117.5
[M]+	85.052216	113.9
[M]-	85.053314	113.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe