CID 3038119

49822-16-4

Structural Information

Molecular Formula
C15H21N
SMILES
C[C@H]1[C@@H]2CC3=CC=CC=C3[C@@]1(CCN2C)C
InChI
InChI=1S/C15H21N/c1-11-14-10-12-6-4-5-7-13(12)15(11,2)8-9-16(14)3/h4-7,11,14H,8-10H2,1-3H3/t11-,14-,15+/m0/s1
InChIKey
UPIJLTVYDZRYJT-TUKIKUTGSA-N
Compound name
(1R,9S,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

215.1674 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 150.8
[M+Na]+ 238.15662 158.5
[M-H]- 214.16012 152.9
[M+NH4]+ 233.20122 173.2
[M+K]+ 254.13056 154.2
[M+H-H2O]+ 198.16466 143.7
[M+HCOO]- 260.16560 165.6
[M+CH3COO]- 274.18125 162.5
[M+Na-2H]- 236.14207 157.6
[M]+ 215.16685 148.2
[M]- 215.16795 148.2
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.