CID 6422196

926202-64-4

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CN(CC(=O)O)C(=O)C1=CC=CS1
InChI
InChI=1S/C8H9NO3S/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKey
NRJFXOJRCYPZOT-UHFFFAOYSA-N
Compound name
2-[methyl(thiophene-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03032 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 143.2
[M+Na]+ 222.01954 149.8
[M-H]- 198.02304 147.2
[M+NH4]+ 217.06414 164.0
[M+K]+ 237.99348 149.1
[M+H-H2O]+ 182.02758 137.4
[M+HCOO]- 244.02852 162.4
[M+CH3COO]- 258.04417 183.2
[M+Na-2H]- 220.00499 143.3
[M]+ 199.02977 145.9
[M]- 199.03087 145.9
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

No patent data available for this compound.