CID 105512297

195322-21-5

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)(C)OC(=O)NCC1=CSC(=C1)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-5-7-4-8(9(13)14)17-6-7/h4,6H,5H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
MZNMZVBJSKZCER-UHFFFAOYSA-N
Compound name
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.07217 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 159.8
[M+Na]+ 280.06139 166.2
[M+NH4]+ 275.10599 165.4
[M+K]+ 296.03533 163.6
[M-H]- 256.06489 158.3
[M+Na-2H]- 278.04684 161.3
[M]+ 257.07162 160.3
[M]- 257.07272 160.3
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