CID 3063889

101809-62-5

Structural Information

Molecular Formula
C16H23N
SMILES
CCN1CCC2(C(C1CC3=CC=CC=C32)C)C
InChI
InChI=1S/C16H23N/c1-4-17-10-9-16(3)12(2)15(17)11-13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11H2,1-3H3
InChIKey
ROZZBKNOWPXJJR-UHFFFAOYSA-N
Compound name
10-ethyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 155.5
[M+Na]+ 252.172258 162.7
[M-H]- 228.175764 157.3
[M+NH4]+ 247.216863 177.3
[M+K]+ 268.146198 158.1
[M+H-H2O]+ 212.180300 148.1
[M+HCOO]- 274.181241 169.9
[M+CH3COO]- 288.196891 166.6
[M+Na-2H]- 250.157706 161.7
[M]+ 229.18249142 153.2
[M]- 229.18358858 153.2
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.