CID 121208110

3-((methylamino)methyl)cyclobutan-1-one hydrochloride

Structural Information

Molecular Formula

SMILES

CNCC1CC(=O)C1

InChI

InChI=1S/C6H11NO/c1-7-4-5-2-6(8)3-5/h5,7H,2-4H2,1H3

InChIKey

JIUQSIBZEPFEKB-UHFFFAOYSA-N

Compound name

3-(methylaminomethyl)cyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 113.08406 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]+	114.09134	120.5
[M+Na]+	136.07328	126.3
[M-H]-	112.07678	124.2
[M+NH4]+	131.11788	136.6
[M+K]+	152.04722	128.9
[M+H-H2O]+	96.081320	110.5
[M+HCOO]-	158.08226	143.9
[M+CH3COO]-	172.09791	175.7
[M+Na-2H]-	134.05873	126.9
[M]+	113.08351	127.8
[M]-	113.08461	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe