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]+ 146.099786 130.2
[M+Na]+ 168.081728 138.1
[M-H]- 144.085234 131.3
[M+NH4]+ 163.126333 154.3
[M+K]+ 184.055668 136.1
[M+H-H2O]+ 128.089770 125.9
[M+HCOO]- 190.090711 145.2
[M+CH3COO]- 204.106361 170.8
[M+Na-2H]- 166.067176 131.8
[M]+ 145.09196142 128.9
[M]- 145.09305858 128.9
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.