CID 165614818

3-(5-methylpyridin-3-yl)prop-2-en-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
CC1=CC(=CN=C1)/C=C/CN
InChI
InChI=1S/C9H12N2/c1-8-5-9(3-2-4-10)7-11-6-8/h2-3,5-7H,4,10H2,1H3/b3-2+
InChIKey
OJVHGWAPZGBDOD-NSCUHMNNSA-N
Compound name
(E)-3-(5-methyl-3-pyridinyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.10005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 131.6
[M+Na]+ 171.089268 139.6
[M-H]- 147.092774 133.5
[M+NH4]+ 166.133873 151.4
[M+K]+ 187.063208 136.6
[M+H-H2O]+ 131.097310 125.2
[M+HCOO]- 193.098251 155.6
[M+CH3COO]- 207.113901 177.6
[M+Na-2H]- 169.074716 138.5
[M]+ 148.09950142 129.9
[M]- 148.10059858 129.9
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.