CID 3055286

N-(thenoyl-3) glycinate de magnesium [french]

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1=CSC=C1C(=O)NCC(=O)O
InChI
InChI=1S/C7H7NO3S/c9-6(10)3-8-7(11)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)(H,9,10)
InChIKey
HXDPRNFJDUOQDC-UHFFFAOYSA-N
Compound name
2-(thiophene-3-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 138.5
[M+Na]+ 208.00388 145.3
[M-H]- 184.00738 141.0
[M+NH4]+ 203.04848 159.1
[M+K]+ 223.97782 143.4
[M+H-H2O]+ 168.01192 132.9
[M+HCOO]- 230.01286 157.4
[M+CH3COO]- 244.02851 176.8
[M+Na-2H]- 205.98933 139.7
[M]+ 185.01411 139.4
[M]- 185.01521 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