CID 54026681

1417793-19-1

Structural Information

Molecular Formula
C4H9NS
SMILES
CSC1CNC1
InChI
InChI=1S/C4H9NS/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKey
UCCIFFGORAXIFG-UHFFFAOYSA-N
Compound name
3-methylsulfanylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

103.04557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 113.9
[M+Na]+ 126.034788 119.6
[M-H]- 102.038294 114.7
[M+NH4]+ 121.079393 129.0
[M+K]+ 142.008728 121.1
[M+H-H2O]+ 86.042830 103.2
[M+HCOO]- 148.043771 128.6
[M+CH3COO]- 162.059421 166.9
[M+Na-2H]- 124.020236 117.7
[M]+ 103.04502142 120.8
[M]- 103.04611858 120.8
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