CID 165673538

2107831-99-0

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CN1C2=C(CSCC2)C=C1C(=O)OC
InChI
InChI=1S/C10H13NO2S/c1-11-8-3-4-14-6-7(8)5-9(11)10(12)13-2/h5H,3-4,6H2,1-2H3
InChIKey
IKFWRTUJWDAPAV-UHFFFAOYSA-N
Compound name
methyl 1-methyl-6,7-dihydro-4H-thiopyrano[4,3-b]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 145.6
[M+Na]+ 234.05592 156.1
[M+NH4]+ 229.10052 154.5
[M+K]+ 250.02986 150.2
[M-H]- 210.05942 146.8
[M+Na-2H]- 232.04137 148.7
[M]+ 211.06615 147.7
[M]- 211.06725 147.7
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.