CID 14036227

83552-28-7

Structural Information

Molecular Formula
C7H13NO2S
SMILES
COC(=O)[C@@H]1C[C@H](CN1)SC
InChI
InChI=1S/C7H13NO2S/c1-10-7(9)6-3-5(11-2)4-8-6/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKey
XXYXGWVHQVVZJR-RITPCOANSA-N
Compound name
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 139.1
[M+Na]+ 198.05592 147.3
[M+NH4]+ 193.10052 146.8
[M+K]+ 214.02986 142.7
[M-H]- 174.05942 138.6
[M+Na-2H]- 196.04137 140.9
[M]+ 175.06615 140.2
[M]- 175.06725 140.2
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.