CID 57179785

Methyl 6-[(methylamino)methyl]pyridine-3-carboxylate dihydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CNCC1=NC=C(C=C1)C(=O)OC
InChI
InChI=1S/C9H12N2O2/c1-10-6-8-4-3-7(5-11-8)9(12)13-2/h3-5,10H,6H2,1-2H3
InChIKey
PKYCRULWUHRDJV-UHFFFAOYSA-N
Compound name
methyl 6-(methylaminomethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

180.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.8
[M+Na]+ 203.07909 145.3
[M-H]- 179.08259 140.3
[M+NH4]+ 198.12369 156.3
[M+K]+ 219.05303 144.1
[M+H-H2O]+ 163.08713 130.8
[M+HCOO]- 225.08807 161.8
[M+CH3COO]- 239.10372 183.2
[M+Na-2H]- 201.06454 144.4
[M]+ 180.08932 139.3
[M]- 180.09042 139.3
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