CID 46942195

3-aminocyclobutan-1-one 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: 189
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	112.1
[M+Na]+	108.04198	118.7
[M-H]-	84.045489	115.7
[M+NH4]+	103.08659	129.0
[M+K]+	124.01592	121.5
[M+H-H2O]+	68.050025	102.5
[M+HCOO]-	130.05097	135.6
[M+CH3COO]-	144.06662	169.1
[M+Na-2H]-	106.02743	118.5
[M]+	85.052216	117.7
[M]-	85.053314	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe