CID 15591778

28044-76-0

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CS1)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-17-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)
InChIKey
CFAJOXPICRIMCA-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

257.07217 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 159.4
[M+Na]+ 280.06139 165.1
[M+NH4]+ 275.10599 164.8
[M+K]+ 296.03533 163.1
[M-H]- 256.06489 157.6
[M+Na-2H]- 278.04684 160.8
[M]+ 257.07162 159.6
[M]- 257.07272 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe