CID 58278930

1203486-63-8

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCOC(=O)C1=CN=CC(=C1N)N
InChI
InChI=1S/C8H11N3O2/c1-2-13-8(12)5-3-11-4-6(9)7(5)10/h3-4H,2,9H2,1H3,(H2,10,11)
InChIKey
YQBLSNQHYBVMRO-UHFFFAOYSA-N
Compound name
ethyl 4,5-diaminopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

181.08513 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.1
[M+Na]+ 204.07435 146.1
[M-H]- 180.07785 140.1
[M+NH4]+ 199.11895 156.0
[M+K]+ 220.04829 144.4
[M+H-H2O]+ 164.08239 131.1
[M+HCOO]- 226.08333 162.1
[M+CH3COO]- 240.09898 185.3
[M+Na-2H]- 202.05980 142.6
[M]+ 181.08458 136.8
[M]- 181.08568 136.8
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