CID 63722504

5-(aminomethyl)-n,n-dimethylpyridine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)C(=O)C1=NC=C(C=C1)CN
InChI
InChI=1S/C9H13N3O/c1-12(2)9(13)8-4-3-7(5-10)6-11-8/h3-4,6H,5,10H2,1-2H3
InChIKey
SXJGFOLVXPKWKE-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-N,N-dimethylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.3
[M+Na]+ 202.09509 146.2
[M-H]- 178.09859 142.8
[M+NH4]+ 197.13969 158.0
[M+K]+ 218.06903 145.5
[M+H-H2O]+ 162.10313 132.0
[M+HCOO]- 224.10407 164.0
[M+CH3COO]- 238.11972 189.0
[M+Na-2H]- 200.08054 144.5
[M]+ 179.10532 138.9
[M]- 179.10642 138.9
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.