CID 82379362

1369351-45-0

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)SC(=C2)C(=O)O
InChI
InChI=1S/C12H15NO4S/c1-12(2,3)17-11(16)13-5-7-4-8(10(14)15)18-9(7)6-13/h4H,5-6H2,1-3H3,(H,14,15)
InChIKey
RGOGFBDIGFXKST-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.07217 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 162.1
[M+Na]+ 292.06139 168.9
[M+NH4]+ 287.10599 168.2
[M+K]+ 308.03533 168.1
[M-H]- 268.06489 159.9
[M+Na-2H]- 290.04684 162.0
[M]+ 269.07162 162.5
[M]- 269.07272 162.5
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