CID 424003

102489-73-6

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)CN
InChI
InChI=1S/C13H18N2/c14-9-10-7-11-3-1-5-15-6-2-4-12(8-10)13(11)15/h7-8H,1-6,9,14H2
InChIKey
ANYIDUGXCDMMJR-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 145.2
[M+Na]+ 225.136218 150.6
[M-H]- 201.139724 146.9
[M+NH4]+ 220.180823 164.7
[M+K]+ 241.110158 146.4
[M+H-H2O]+ 185.144260 137.7
[M+HCOO]- 247.145201 161.5
[M+CH3COO]- 261.160851 156.2
[M+Na-2H]- 223.121666 152.0
[M]+ 202.14645142 139.7
[M]- 202.14754858 139.7
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.