CID 59569936

Methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=C(C=CC(=N1)CN)C(=O)OC
InChI
InChI=1S/C9H12N2O2/c1-6-8(9(12)13-2)4-3-7(5-10)11-6/h3-4H,5,10H2,1-2H3
InChIKey
RDXBTWHGTBSRGA-UHFFFAOYSA-N
Compound name
methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

180.08987 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.1
[M+Na]+ 203.079088 146.6
[M-H]- 179.082594 140.5
[M+NH4]+ 198.123693 156.7
[M+K]+ 219.053028 145.1
[M+H-H2O]+ 163.087130 131.5
[M+HCOO]- 225.088071 161.5
[M+CH3COO]- 239.103721 183.8
[M+Na-2H]- 201.064536 142.9
[M]+ 180.08932142 139.0
[M]- 180.09041858 139.0
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