CID 165755759

1-(azetidin-1-yl)-4-(methylsulfanyl)butan-1-one

Structural Information

Molecular Formula
C8H15NOS
SMILES
CSCCCC(=O)N1CCC1
InChI
InChI=1S/C8H15NOS/c1-11-7-2-4-8(10)9-5-3-6-9/h2-7H2,1H3
InChIKey
FVWWHKHGZXYVBL-UHFFFAOYSA-N
Compound name
1-(azetidin-1-yl)-4-methylsulfanylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08743 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09471 134.8
[M+Na]+ 196.07665 139.0
[M-H]- 172.08015 136.3
[M+NH4]+ 191.12125 147.6
[M+K]+ 212.05059 140.7
[M+H-H2O]+ 156.08469 122.9
[M+HCOO]- 218.08563 149.0
[M+CH3COO]- 232.10128 182.4
[M+Na-2H]- 194.06210 135.8
[M]+ 173.08688 144.9
[M]- 173.08798 144.9
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

No patent data available for this compound.