CID 721502

Schembl2778719

Structural Information

Molecular Formula
C8H11N2
SMILES
C=CC[N+]1=CC=CC=C1N
InChI
InChI=1S/C8H10N2/c1-2-6-10-7-4-3-5-8(10)9/h2-5,7,9H,1,6H2/p+1
InChIKey
MHZZVJXTLPZDII-UHFFFAOYSA-O
Compound name
1-prop-2-enylpyridin-1-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

135.09222 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.099496 126.9
[M+Na]+ 158.081438 135.2
[M-H]- 134.084944 129.3
[M+NH4]+ 153.126043 147.0
[M+K]+ 174.055378 127.1
[M+H-H2O]+ 118.089480 123.6
[M+HCOO]- 180.090421 151.0
[M+CH3COO]- 194.106071 168.4
[M+Na-2H]- 156.066886 136.7
[M]+ 135.09167142 123.8
[M]- 135.09276858 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe