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]+ 216.174676 150.8
[M+Na]+ 238.156618 158.5
[M-H]- 214.160124 152.9
[M+NH4]+ 233.201223 173.2
[M+K]+ 254.130558 154.2
[M+H-H2O]+ 198.164660 143.7
[M+HCOO]- 260.165601 165.6
[M+CH3COO]- 274.181251 162.5
[M+Na-2H]- 236.142066 157.6
[M]+ 215.16685142 148.2
[M]- 215.16794858 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.