CID 83484954

1784316-97-7

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CN1C2=C(CSCC2)C=C1C(=O)O
InChI
InChI=1S/C9H11NO2S/c1-10-7-2-3-13-5-6(7)4-8(10)9(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKey
ZQPSRUVLCYXTNE-UHFFFAOYSA-N
Compound name
1-methyl-6,7-dihydro-4H-thiopyrano[4,3-b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.05106 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 141.1
[M+Na]+ 220.04028 151.3
[M+NH4]+ 215.08488 149.8
[M+K]+ 236.01422 146.0
[M-H]- 196.04378 141.8
[M+Na-2H]- 218.02573 143.9
[M]+ 197.05051 143.0
[M]- 197.05161 143.0
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

No patent data available for this compound.