CID 165590523

2731007-35-3

Structural Information

Molecular Formula
C7H15NS
SMILES
CC1(CCNC1)CSC
InChI
InChI=1S/C7H15NS/c1-7(6-9-2)3-4-8-5-7/h8H,3-6H2,1-2H3
InChIKey
PCUWMMDOKZIMBP-UHFFFAOYSA-N
Compound name
3-methyl-3-(methylsulfanylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09251 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 131.1
[M+Na]+ 168.081728 138.1
[M-H]- 144.085234 131.8
[M+NH4]+ 163.126333 154.9
[M+K]+ 184.055668 136.1
[M+H-H2O]+ 128.089770 126.4
[M+HCOO]- 190.090711 146.1
[M+CH3COO]- 204.106361 169.7
[M+Na-2H]- 166.067176 133.3
[M]+ 145.09196142 129.4
[M]- 145.09305858 129.4
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.