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

literature stripe

Patent stripe

patents stripe