CID 17805728

164666-10-8

Structural Information

Molecular Formula
C5H11NS
SMILES
CSC1CCNC1
InChI
InChI=1S/C5H11NS/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3
InChIKey
YRUWMEUBLIEWGY-UHFFFAOYSA-N
Compound name
3-methylsulfanylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06850 123.5
[M+Na]+ 140.05044 130.7
[M-H]- 116.05394 124.3
[M+NH4]+ 135.09504 146.5
[M+K]+ 156.02438 128.9
[M+H-H2O]+ 100.05848 118.3
[M+HCOO]- 162.05942 139.2
[M+CH3COO]- 176.07507 164.1
[M+Na-2H]- 138.03589 125.3
[M]+ 117.06067 120.8
[M]- 117.06177 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