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]+ 174.094706 134.8
[M+Na]+ 196.076648 139.0
[M-H]- 172.080154 136.3
[M+NH4]+ 191.121253 147.6
[M+K]+ 212.050588 140.7
[M+H-H2O]+ 156.084690 122.9
[M+HCOO]- 218.085631 149.0
[M+CH3COO]- 232.101281 182.4
[M+Na-2H]- 194.062096 135.8
[M]+ 173.08688142 144.9
[M]- 173.08797858 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.