CID 22105569

1094071-11-0

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(C)(C)OC(=O)NC1=CC=C(S1)C(=O)O
InChI
InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-4-6(16-7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey
SJDHQBPIYARAPS-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

243.05653 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 155.6
[M+Na]+ 266.04575 162.2
[M+NH4]+ 261.09035 161.3
[M+K]+ 282.01969 159.8
[M-H]- 242.04925 154.1
[M+Na-2H]- 264.03120 157.2
[M]+ 243.05598 156.1
[M]- 243.05708 156.1
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