CID 22593744

3-(6-amino-2-methylpyridin-3-yl)acrylic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=C(C=CC(=N1)N)/C=C/C(=O)O
InChI
InChI=1S/C9H10N2O2/c1-6-7(3-5-9(12)13)2-4-8(10)11-6/h2-5H,1H3,(H2,10,11)(H,12,13)/b5-3+
InChIKey
KJKFNJOOMXVTJL-HWKANZROSA-N
Compound name
(E)-3-(6-amino-2-methylpyridin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.5
[M+Na]+ 201.06345 145.9
[M-H]- 177.06695 138.5
[M+NH4]+ 196.10805 155.4
[M+K]+ 217.03739 142.9
[M+H-H2O]+ 161.07149 131.2
[M+HCOO]- 223.07243 159.6
[M+CH3COO]- 237.08808 180.4
[M+Na-2H]- 199.04890 141.8
[M]+ 178.07368 135.8
[M]- 178.07478 135.8
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