CID 54171011

1-(3-aminoazetidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
CCC(=O)N1CC(C1)N
InChI
InChI=1S/C6H12N2O/c1-2-6(9)8-3-5(7)4-8/h5H,2-4,7H2,1H3
InChIKey
OVAULDKLSSUUJZ-UHFFFAOYSA-N
Compound name
1-(3-aminoazetidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.9
[M+Na]+ 151.084178 134.4
[M-H]- 127.087684 130.6
[M+NH4]+ 146.128783 142.7
[M+K]+ 167.058118 137.1
[M+H-H2O]+ 111.092220 117.6
[M+HCOO]- 173.093161 149.4
[M+CH3COO]- 187.108811 177.8
[M+Na-2H]- 149.069626 132.6
[M]+ 128.09441142 134.9
[M]- 128.09550858 134.9
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