CID 145366416

2,2-dimethyl-4-(methylsulfanyl)pyrrolidine

Structural Information

Molecular Formula
C7H15NS
SMILES
CC1(CC(CN1)SC)C
InChI
InChI=1S/C7H15NS/c1-7(2)4-6(9-3)5-8-7/h6,8H,4-5H2,1-3H3
InChIKey
YZIIDRICPCVUTD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-methylsulfanylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09251 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 132.3
[M+Na]+ 168.08173 141.9
[M+NH4]+ 163.12633 142.9
[M+K]+ 184.05567 133.9
[M-H]- 144.08523 133.3
[M+Na-2H]- 166.06718 137.1
[M]+ 145.09196 134.4
[M]- 145.09306 134.4
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

No patent data available for this compound.