CID 11412969

811860-66-9

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1=CSC=C1CC(C(=O)O)NC=O
InChI
InChI=1S/C8H9NO3S/c10-5-9-7(8(11)12)3-6-1-2-13-4-6/h1-2,4-5,7H,3H2,(H,9,10)(H,11,12)
InChIKey
KKUSXDCMDBFZML-UHFFFAOYSA-N
Compound name
2-formamido-3-thiophen-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 143.1
[M+Na]+ 222.01954 150.5
[M+NH4]+ 217.06414 149.9
[M+K]+ 237.99348 146.6
[M-H]- 198.02304 142.9
[M+Na-2H]- 220.00499 145.9
[M]+ 199.02977 144.0
[M]- 199.03087 144.0
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