CID 125455875

Methyl 5-carbamimidoylpyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H9N3O2
SMILES
COC(=O)C1=CN=CC(=C1)C(=N)N
InChI
InChI=1S/C8H9N3O2/c1-13-8(12)6-2-5(7(9)10)3-11-4-6/h2-4H,1H3,(H3,9,10)
InChIKey
KVSHRPUAPYULQL-UHFFFAOYSA-N
Compound name
methyl 5-carbamimidoylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.8
[M+Na]+ 202.058688 144.0
[M-H]- 178.062194 139.1
[M+NH4]+ 197.103293 154.6
[M+K]+ 218.032628 142.5
[M+H-H2O]+ 162.066730 129.8
[M+HCOO]- 224.067671 160.8
[M+CH3COO]- 238.083321 184.7
[M+Na-2H]- 200.044136 142.0
[M]+ 179.06892142 134.9
[M]- 179.07001858 134.9
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

No patent data available for this compound.