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

42
Patents

117.06122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.068496 123.5
[M+Na]+ 140.050438 130.7
[M-H]- 116.053944 124.3
[M+NH4]+ 135.095043 146.5
[M+K]+ 156.024378 128.9
[M+H-H2O]+ 100.058480 118.3
[M+HCOO]- 162.059421 139.2
[M+CH3COO]- 176.075071 164.1
[M+Na-2H]- 138.035886 125.3
[M]+ 117.06067142 120.8
[M]- 117.06176858 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