CID 736252

2-(quinoxalin-2-ylsulfanyl)acetic acid

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)O
InChI
InChI=1S/C10H8N2O2S/c13-10(14)6-15-9-5-11-7-3-1-2-4-8(7)12-9/h1-5H,6H2,(H,13,14)
InChIKey
ZBWZEFLYRWANSY-UHFFFAOYSA-N
Compound name
2-quinoxalin-2-ylsulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

178
Patents

220.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 143.4
[M+Na]+ 243.01987 152.6
[M-H]- 219.02337 144.2
[M+NH4]+ 238.06447 160.1
[M+K]+ 258.99381 148.4
[M+H-H2O]+ 203.02791 136.5
[M+HCOO]- 265.02885 158.0
[M+CH3COO]- 279.04450 183.6
[M+Na-2H]- 241.00532 149.3
[M]+ 220.03010 145.9
[M]- 220.03120 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

literature stripe

Patent stripe

patents stripe