CID 155819794

2470279-92-4

Structural Information

Molecular Formula
C5H10ClNS
SMILES
CS[C@@H]1CNC[C@@H]1Cl
InChI
InChI=1S/C5H10ClNS/c1-8-5-3-7-2-4(5)6/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
FUZVCKMEPLZFBV-CRCLSJGQSA-N
Compound name
(3S,4R)-3-chloro-4-methylsulfanylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02225 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02953 129.6
[M+Na]+ 174.01147 138.1
[M-H]- 150.01497 130.6
[M+NH4]+ 169.05607 152.2
[M+K]+ 189.98541 134.5
[M+H-H2O]+ 134.01951 125.3
[M+HCOO]- 196.02045 140.5
[M+CH3COO]- 210.03610 169.1
[M+Na-2H]- 171.99692 130.2
[M]+ 151.02170 128.8
[M]- 151.02280 128.8
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.