CID 18925408

149587-72-4

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)(C)OC(=O)NC1=C(SC=C1)C(=O)OC
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKey
JEMOHNKXRFEUDT-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

257.07217 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 159.9
[M+Na]+ 280.06139 167.0
[M+NH4]+ 275.10599 165.9
[M+K]+ 296.03533 164.0
[M-H]- 256.06489 159.0
[M+Na-2H]- 278.04684 162.0
[M]+ 257.07162 160.8
[M]- 257.07272 160.8
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