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

6
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 138.4
[M+Na]+ 198.05592 145.4
[M-H]- 174.05942 139.3
[M+NH4]+ 193.10052 159.1
[M+K]+ 214.02986 143.7
[M+H-H2O]+ 158.06396 133.0
[M+HCOO]- 220.06490 153.0
[M+CH3COO]- 234.08055 174.4
[M+Na-2H]- 196.04137 137.6
[M]+ 175.06615 138.3
[M]- 175.06725 138.3
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