CID 126992288

1-(azetidin-1-yl)-3-(methylsulfanyl)propan-1-one

Structural Information

Molecular Formula
C7H13NOS
SMILES
CSCCC(=O)N1CCC1
InChI
InChI=1S/C7H13NOS/c1-10-6-3-7(9)8-4-2-5-8/h2-6H2,1H3
InChIKey
VCDRUZHNOWHRCP-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0718 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07908 130.3
[M+Na]+ 182.06102 134.9
[M-H]- 158.06452 131.9
[M+NH4]+ 177.10562 143.6
[M+K]+ 198.03496 136.9
[M+H-H2O]+ 142.06906 118.6
[M+HCOO]- 204.07000 144.8
[M+CH3COO]- 218.08565 179.4
[M+Na-2H]- 180.04647 131.8
[M]+ 159.07125 140.0
[M]- 159.07235 140.0
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

No patent data available for this compound.