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

60
Patents

172.00395 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01123 129.2
[M+Na]+ 194.99317 139.1
[M-H]- 170.99667 129.1
[M+NH4]+ 190.03777 147.1
[M+K]+ 210.96711 135.8
[M+H-H2O]+ 155.00121 123.2
[M+HCOO]- 217.00215 145.7
[M+CH3COO]- 231.01780 174.0
[M+Na-2H]- 192.97862 136.3
[M]+ 172.00340 130.9
[M]- 172.00450 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