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

12
Patents

128.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.9
[M+Na]+ 151.08418 134.4
[M-H]- 127.08768 130.6
[M+NH4]+ 146.12878 142.7
[M+K]+ 167.05812 137.1
[M+H-H2O]+ 111.09222 117.6
[M+HCOO]- 173.09316 149.4
[M+CH3COO]- 187.10881 177.8
[M+Na-2H]- 149.06963 132.6
[M]+ 128.09441 134.9
[M]- 128.09551 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