CID 81481

7005-53-0

Structural Information

Molecular Formula
C15H15N
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N
InChI
InChI=1S/C15H15N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
InChIKey
KTADHXXSCNRJRT-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2999
Patents

209.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 143.8
[M+Na]+ 232.109668 150.5
[M-H]- 208.113174 150.1
[M+NH4]+ 227.154273 163.4
[M+K]+ 248.083608 149.7
[M+H-H2O]+ 192.117710 139.5
[M+HCOO]- 254.118651 164.7
[M+CH3COO]- 268.134301 156.2
[M+Na-2H]- 230.095116 151.8
[M]+ 209.11990142 138.4
[M]- 209.12099858 138.4
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