CID 10487224

(2e)-3-(6-aminopyridin-3-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC(=NC=C1/C=C/C(=O)O)N
InChI
InChI=1S/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2+
InChIKey
RKTFOZFRTWRSLT-DUXPYHPUSA-N
Compound name
(E)-3-(6-aminopyridin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

164.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 133.1
[M+Na]+ 187.04780 141.0
[M-H]- 163.05130 133.9
[M+NH4]+ 182.09240 151.2
[M+K]+ 203.02174 138.2
[M+H-H2O]+ 147.05584 126.8
[M+HCOO]- 209.05678 155.5
[M+CH3COO]- 223.07243 176.2
[M+Na-2H]- 185.03325 138.7
[M]+ 164.05803 130.7
[M]- 164.05913 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe