CID 23184259

3-[(methylsulfanyl)methyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H13NS
SMILES
CSCC1CCNC1
InChI
InChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3
InChIKey
DLRXQZPIZMUQQC-UHFFFAOYSA-N
Compound name
3-(methylsulfanylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

131.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 127.9
[M+Na]+ 154.06609 134.6
[M-H]- 130.06959 128.5
[M+NH4]+ 149.11069 150.3
[M+K]+ 170.04003 132.6
[M+H-H2O]+ 114.07413 122.5
[M+HCOO]- 176.07507 143.3
[M+CH3COO]- 190.09072 167.1
[M+Na-2H]- 152.05154 129.2
[M]+ 131.07632 125.6
[M]- 131.07742 125.6
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

patents stripe