CID 65951496

1-(3-amino-3-methylazetidin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(=O)N1CC(C1)(C)N
InChI
InChI=1S/C6H12N2O/c1-5(9)8-3-6(2,7)4-8/h3-4,7H2,1-2H3
InChIKey
XCKUMAQMLVFTAD-UHFFFAOYSA-N
Compound name
1-(3-amino-3-methylazetidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.09496 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 129.7
[M+Na]+ 151.084178 136.0
[M-H]- 127.087684 131.9
[M+NH4]+ 146.128783 145.5
[M+K]+ 167.058118 138.8
[M+H-H2O]+ 111.092220 119.9
[M+HCOO]- 173.093161 150.1
[M+CH3COO]- 187.108811 177.3
[M+Na-2H]- 149.069626 134.5
[M]+ 128.09441142 136.0
[M]- 128.09550858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe