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]+ 180.07675 136.8
[M+Na]+ 202.05869 144.0
[M-H]- 178.06219 139.1
[M+NH4]+ 197.10329 154.6
[M+K]+ 218.03263 142.5
[M+H-H2O]+ 162.06673 129.8
[M+HCOO]- 224.06767 160.8
[M+CH3COO]- 238.08332 184.7
[M+Na-2H]- 200.04414 142.0
[M]+ 179.06892 134.9
[M]- 179.07002 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.