CID 42689

9-(dicyanovinyl)julolidine

Structural Information

Molecular Formula
C16H15N3
SMILES
C1CC2=CCCN3C2=C(C1)C(=CC3)C=C(C#N)C#N
InChI
InChI=1S/C16H15N3/c17-10-12(11-18)9-14-6-8-19-7-2-4-13-3-1-5-15(14)16(13)19/h4,6,9H,1-3,5,7-8H2
InChIKey
YHKFSHOHLREQMZ-UHFFFAOYSA-N
Compound name
2-(1-azatricyclo[7.3.1.05,13]trideca-3,5(13),9-trien-4-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

19
Patents

249.1266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 167.0
[M+Na]+ 272.11582 176.4
[M-H]- 248.11932 168.7
[M+NH4]+ 267.16042 178.7
[M+K]+ 288.08976 166.6
[M+H-H2O]+ 232.12386 151.3
[M+HCOO]- 294.12480 173.5
[M+CH3COO]- 308.14045 172.6
[M+Na-2H]- 270.10127 168.6
[M]+ 249.12605 156.0
[M]- 249.12715 156.0
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.