CID 13124897

Ns00053479

Structural Information

Molecular Formula
C13H15N
SMILES
C1[C@@H]2CC3=CC=CC=C3[C@H]1C=C[C@@H]2N
InChI
InChI=1S/C13H15N/c14-13-6-5-10-8-11(13)7-9-3-1-2-4-12(9)10/h1-6,10-11,13H,7-8,14H2/t10-,11-,13-/m0/s1
InChIKey
FKAWLODEQFMRKI-GVXVVHGQSA-N
Compound name
(1R,9R,10R)-tricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraen-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 137.5
[M+Na]+ 208.109668 144.4
[M-H]- 184.113174 140.6
[M+NH4]+ 203.154273 159.6
[M+K]+ 224.083608 140.0
[M+H-H2O]+ 168.117710 131.5
[M+HCOO]- 230.118651 156.3
[M+CH3COO]- 244.134301 149.9
[M+Na-2H]- 206.095116 146.0
[M]+ 185.11990142 133.0
[M]- 185.12099858 133.0
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.