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

105
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 159.3
[M+Na]+ 280.06139 166.1
[M-H]- 256.06489 163.3
[M+NH4]+ 275.10599 178.4
[M+K]+ 296.03533 165.2
[M+H-H2O]+ 240.06943 153.7
[M+HCOO]- 302.07037 177.2
[M+CH3COO]- 316.08602 192.9
[M+Na-2H]- 278.04684 159.6
[M]+ 257.07162 164.7
[M]- 257.07272 164.7
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

patents stripe