CID 738033

Dtxsid60353307

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CC=NC(=C1)C(=CC#N)N
InChI
InChI=1S/C8H7N3/c9-5-4-7(10)8-3-1-2-6-11-8/h1-4,6H,10H2
InChIKey
UUIKPAVVDPUTNH-UHFFFAOYSA-N
Compound name
3-amino-3-pyridin-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.064 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.071276 132.8
[M+Na]+ 168.053218 141.6
[M-H]- 144.056724 133.9
[M+NH4]+ 163.097823 150.0
[M+K]+ 184.027158 138.6
[M+H-H2O]+ 128.061260 119.4
[M+HCOO]- 190.062201 152.2
[M+CH3COO]- 204.077851 188.4
[M+Na-2H]- 166.038666 138.8
[M]+ 145.06345142 124.7
[M]- 145.06454858 124.7
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