CID 63723518

5-(aminomethyl)-n-methylpyridine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H11N3O
SMILES
CNC(=O)C1=NC=C(C=C1)CN
InChI
InChI=1S/C8H11N3O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKey
DILRSYOBQDTVPT-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

165.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.7
[M+Na]+ 188.07943 141.9
[M-H]- 164.08293 136.8
[M+NH4]+ 183.12403 153.3
[M+K]+ 204.05337 140.0
[M+H-H2O]+ 148.08747 127.7
[M+HCOO]- 210.08841 159.2
[M+CH3COO]- 224.10406 182.5
[M+Na-2H]- 186.06488 141.1
[M]+ 165.08966 132.6
[M]- 165.09076 132.6
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