CID 54457536

3-(pyridin-3-yl)prop-2-en-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H10N2
SMILES
C1=CC(=CN=C1)C=CCN
InChI
InChI=1S/C8H10N2/c9-5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5,9H2
InChIKey
WZGWOIOGOJYLSM-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

134.0844 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 127.1
[M+Na]+ 157.073618 134.5
[M-H]- 133.077124 128.8
[M+NH4]+ 152.118223 147.1
[M+K]+ 173.047558 131.8
[M+H-H2O]+ 117.081660 120.6
[M+HCOO]- 179.082601 151.4
[M+CH3COO]- 193.098251 173.5
[M+Na-2H]- 155.059066 135.3
[M]+ 134.08385142 124.6
[M]- 134.08494858 124.6
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