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]+ 203.15428 145.2
[M+Na]+ 225.13622 150.6
[M-H]- 201.13972 146.9
[M+NH4]+ 220.18082 164.7
[M+K]+ 241.11016 146.4
[M+H-H2O]+ 185.14426 137.7
[M+HCOO]- 247.14520 161.5
[M+CH3COO]- 261.16085 156.2
[M+Na-2H]- 223.12167 152.0
[M]+ 202.14645 139.7
[M]- 202.14755 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.