CID 165614818

En300-39853190

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-methylpyridin-3-yl)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]+ 149.10733 131.6
[M+Na]+ 171.08927 139.6
[M-H]- 147.09277 133.5
[M+NH4]+ 166.13387 151.4
[M+K]+ 187.06321 136.6
[M+H-H2O]+ 131.09731 125.2
[M+HCOO]- 193.09825 155.6
[M+CH3COO]- 207.11390 177.6
[M+Na-2H]- 169.07472 138.5
[M]+ 148.09950 129.9
[M]- 148.10060 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.