CID 2740344

2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C9H7N3O2S
SMILES
C1=CN=C(C=N1)C2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H7N3O2S/c13-8(14)3-6-5-15-9(12-6)7-4-10-1-2-11-7/h1-2,4-5H,3H2,(H,13,14)
InChIKey
KLAFFMMZAAUZTK-UHFFFAOYSA-N
Compound name
2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

221.0259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03318 144.7
[M+Na]+ 244.01512 154.5
[M-H]- 220.01862 147.1
[M+NH4]+ 239.05972 160.6
[M+K]+ 259.98906 150.8
[M+H-H2O]+ 204.02316 137.0
[M+HCOO]- 266.02410 160.8
[M+CH3COO]- 280.03975 157.0
[M+Na-2H]- 242.00057 147.2
[M]+ 221.02535 146.8
[M]- 221.02645 146.8
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