CID 14410373

85178-37-6

Structural Information

Molecular Formula
C6H9NO2S
SMILES
COC(=O)[C@@H]1CCC(=S)N1
InChI
InChI=1S/C6H9NO2S/c1-9-6(8)4-2-3-5(10)7-4/h4H,2-3H2,1H3,(H,7,10)/t4-/m0/s1
InChIKey
BDNFWMHPTDPFIT-BYPYZUCNSA-N
Compound name
methyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

159.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 133.2
[M+Na]+ 182.024618 140.8
[M-H]- 158.028124 134.2
[M+NH4]+ 177.069223 154.4
[M+K]+ 197.998558 138.8
[M+H-H2O]+ 142.032660 128.0
[M+HCOO]- 204.033601 148.3
[M+CH3COO]- 218.049251 170.5
[M+Na-2H]- 180.010066 132.8
[M]+ 159.03485142 132.0
[M]- 159.03594858 132.0
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