CID 738033

55330-52-4

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]+ 146.07128 132.8
[M+Na]+ 168.05322 141.6
[M-H]- 144.05672 133.9
[M+NH4]+ 163.09782 150.0
[M+K]+ 184.02716 138.6
[M+H-H2O]+ 128.06126 119.4
[M+HCOO]- 190.06220 152.2
[M+CH3COO]- 204.07785 188.4
[M+Na-2H]- 166.03867 138.8
[M]+ 145.06345 124.7
[M]- 145.06455 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