CID 308407

4-amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C14H13N3
SMILES
C1CC(CC(=C1N)C#N)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C14H13N3/c15-9-11-8-14(10-16,7-6-13(11)17)12-4-2-1-3-5-12/h1-5H,6-8,17H2
InChIKey
VSISRXTWVKPZMI-UHFFFAOYSA-N
Compound name
4-amino-1-phenylcyclohex-3-ene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 166.6
[M+Na]+ 246.10017 176.8
[M-H]- 222.10367 171.1
[M+NH4]+ 241.14477 179.4
[M+K]+ 262.07411 169.5
[M+H-H2O]+ 206.10821 151.4
[M+HCOO]- 268.10915 178.1
[M+CH3COO]- 282.12480 173.4
[M+Na-2H]- 244.08562 168.1
[M]+ 223.11040 155.5
[M]- 223.11150 155.5
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.