CID 58718154

292068-69-0

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(C)(C)OC(=O)NC1=CSC(=C1)C(=O)O
InChI
InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-7(8(12)13)16-5-6/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey
NFVNSZPAUPQPDZ-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.05653 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 154.8
[M+Na]+ 266.04575 161.5
[M-H]- 242.04925 157.5
[M+NH4]+ 261.09035 173.6
[M+K]+ 282.01969 159.9
[M+H-H2O]+ 226.05379 149.5
[M+HCOO]- 288.05473 171.5
[M+CH3COO]- 302.07038 188.1
[M+Na-2H]- 264.03120 155.2
[M]+ 243.05598 158.0
[M]- 243.05708 158.0
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

patents stripe