CID 165879809

2839144-32-8

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC1=C(SC=C1NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-6-7(5-17-8(6)9(13)14)12-10(15)16-11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14)
InChIKey
NZCKCNJENNLFGG-UHFFFAOYSA-N
Compound name
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.07217 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 158.4
[M+Na]+ 280.061388 165.5
[M-H]- 256.064894 161.2
[M+NH4]+ 275.105993 176.9
[M+K]+ 296.035328 163.7
[M+H-H2O]+ 240.069430 153.3
[M+HCOO]- 302.070371 174.7
[M+CH3COO]- 316.086021 192.3
[M+Na-2H]- 278.046836 157.8
[M]+ 257.07162142 162.4
[M]- 257.07271858 162.4
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

No patent data available for this compound.