CID 293446

97315-60-1

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)C#N
InChI
InChI=1S/C13H14N2/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15/h7-8H,1-6H2
InChIKey
BXODSMVXUSYGPD-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.6
[M+Na]+ 221.10491 152.9
[M-H]- 197.10841 145.4
[M+NH4]+ 216.14951 161.8
[M+K]+ 237.07885 145.4
[M+H-H2O]+ 181.11295 130.3
[M+HCOO]- 243.11389 156.7
[M+CH3COO]- 257.12954 153.9
[M+Na-2H]- 219.09036 150.4
[M]+ 198.11514 135.1
[M]- 198.11624 135.1
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

patents stripe