CID 5383959

(2e)-3-(pyrazin-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C7H6N2O2
SMILES
C1=CN=C(C=N1)/C=C/C(=O)O
InChI
InChI=1S/C7H6N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h1-5H,(H,10,11)/b2-1+
InChIKey
FQBJLSSHYOOFSG-OWOJBTEDSA-N
Compound name
(E)-3-pyrazin-2-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

150.04292 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 128.7
[M+Na]+ 173.032138 137.0
[M-H]- 149.035644 128.3
[M+NH4]+ 168.076743 146.3
[M+K]+ 189.006078 134.6
[M+H-H2O]+ 133.040180 121.8
[M+HCOO]- 195.041121 149.7
[M+CH3COO]- 209.056771 170.4
[M+Na-2H]- 171.017586 136.4
[M]+ 150.04237142 127.8
[M]- 150.04346858 127.8
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