CID 16065103

2-(6-chloropyrazin-2-yl)acetic acid

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
C1=C(N=C(C=N1)Cl)CC(=O)O
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-8-2-4(9-5)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKey
GKCGKFUOTLQOGO-UHFFFAOYSA-N
Compound name
2-(6-chloropyrazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

172.00395 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.011226 129.2
[M+Na]+ 194.993168 139.1
[M-H]- 170.996674 129.1
[M+NH4]+ 190.037773 147.1
[M+K]+ 210.967108 135.8
[M+H-H2O]+ 155.001210 123.2
[M+HCOO]- 217.002151 145.7
[M+CH3COO]- 231.017801 174.0
[M+Na-2H]- 192.978616 136.3
[M]+ 172.00340142 130.9
[M]- 172.00449858 130.9
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