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

25
Patents

103.04557 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 113.9
[M+Na]+ 126.03479 119.6
[M-H]- 102.03829 114.7
[M+NH4]+ 121.07939 129.0
[M+K]+ 142.00873 121.1
[M+H-H2O]+ 86.042830 103.2
[M+HCOO]- 148.04377 128.6
[M+CH3COO]- 162.05942 166.9
[M+Na-2H]- 124.02024 117.7
[M]+ 103.04502 120.8
[M]- 103.04612 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