CID 294249

Nsc162282

Structural Information

Molecular Formula
C15H13N3
SMILES
C1CC2=C3C(=CC=C2)C(=C(C#N)C#N)CCN3C1
InChI
InChI=1S/C15H13N3/c16-9-12(10-17)13-6-8-18-7-2-4-11-3-1-5-14(13)15(11)18/h1,3,5H,2,4,6-8H2
InChIKey
PSHSHIXBESIOAJ-UHFFFAOYSA-N
Compound name
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11823 164.4
[M+Na]+ 258.10017 174.0
[M-H]- 234.10367 166.2
[M+NH4]+ 253.14477 176.4
[M+K]+ 274.07411 164.4
[M+H-H2O]+ 218.10821 148.8
[M+HCOO]- 280.10915 171.1
[M+CH3COO]- 294.12480 170.2
[M+Na-2H]- 256.08562 166.3
[M]+ 235.11040 153.1
[M]- 235.11150 153.1
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.