CID 679227

((2-thienylcarbonyl)amino)acetic acid

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1=CSC(=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKey
NXTJGIBOVGESBV-UHFFFAOYSA-N
Compound name
2-(thiophene-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

57
Patents

185.01466 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 138.5
[M+Na]+ 208.003878 145.3
[M-H]- 184.007384 141.0
[M+NH4]+ 203.048483 159.1
[M+K]+ 223.977818 143.4
[M+H-H2O]+ 168.011920 132.9
[M+HCOO]- 230.012861 157.4
[M+CH3COO]- 244.028511 176.8
[M+Na-2H]- 205.989326 139.7
[M]+ 185.01411142 139.4
[M]- 185.01520858 139.4
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