CID 83815572

2253632-05-0

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CSCCC1C2CNC2
InChI
InChI=1S/C8H15NS/c1-3-10-4-2-7(1)8-5-9-6-8/h7-9H,1-6H2
InChIKey
SOUIJDAKBSCBLR-UHFFFAOYSA-N
Compound name
3-(thian-4-yl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 126.5
[M+Na]+ 180.081728 129.2
[M-H]- 156.085234 129.0
[M+NH4]+ 175.126333 139.0
[M+K]+ 196.055668 129.8
[M+H-H2O]+ 140.089770 114.6
[M+HCOO]- 202.090711 137.6
[M+CH3COO]- 216.106361 175.2
[M+Na-2H]- 178.067176 128.5
[M]+ 157.09196142 128.5
[M]- 157.09305858 128.5
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