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]+ 146.09979 131.1
[M+Na]+ 168.08173 138.1
[M-H]- 144.08523 131.8
[M+NH4]+ 163.12633 154.9
[M+K]+ 184.05567 136.1
[M+H-H2O]+ 128.08977 126.4
[M+HCOO]- 190.09071 146.1
[M+CH3COO]- 204.10636 169.7
[M+Na-2H]- 166.06718 133.3
[M]+ 145.09196 129.4
[M]- 145.09306 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.