CID 22593736

335030-98-3

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC(=CN=C1N)/C=C/C(=O)O
InChI
InChI=1S/C9H10N2O2/c1-6-4-7(2-3-8(12)13)5-11-9(6)10/h2-5H,1H3,(H2,10,11)(H,12,13)/b3-2+
InChIKey
SGSUUMYVPQMZMR-NSCUHMNNSA-N
Compound name
(E)-3-(6-amino-5-methyl-3-pyridinyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

178.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.5
[M+Na]+ 201.063448 145.9
[M-H]- 177.066954 138.5
[M+NH4]+ 196.108053 155.4
[M+K]+ 217.037388 142.9
[M+H-H2O]+ 161.071490 131.2
[M+HCOO]- 223.072431 159.6
[M+CH3COO]- 237.088081 180.4
[M+Na-2H]- 199.048896 141.8
[M]+ 178.07368142 135.8
[M]- 178.07477858 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