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 130.2
[M+Na]+ 168.08173 138.1
[M-H]- 144.08523 131.3
[M+NH4]+ 163.12633 154.3
[M+K]+ 184.05567 136.1
[M+H-H2O]+ 128.08977 125.9
[M+HCOO]- 190.09071 145.2
[M+CH3COO]- 204.10636 170.8
[M+Na-2H]- 166.06718 131.8
[M]+ 145.09196 128.9
[M]- 145.09306 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.