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]+ 129.10224 129.7
[M+Na]+ 151.08418 136.0
[M-H]- 127.08768 131.9
[M+NH4]+ 146.12878 145.5
[M+K]+ 167.05812 138.8
[M+H-H2O]+ 111.09222 119.9
[M+HCOO]- 173.09316 150.1
[M+CH3COO]- 187.10881 177.3
[M+Na-2H]- 149.06963 134.5
[M]+ 128.09441 136.0
[M]- 128.09551 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