CID 2734582

40512-57-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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 160.0
[M+Na]+ 280.06139 165.1
[M-H]- 256.06489 162.2
[M+NH4]+ 275.10599 177.9
[M+K]+ 296.03533 163.9
[M+H-H2O]+ 240.06943 154.4
[M+HCOO]- 302.07037 175.4
[M+CH3COO]- 316.08602 190.8
[M+Na-2H]- 278.04684 159.5
[M]+ 257.07162 162.6
[M]- 257.07272 162.6
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