CID 3063880

101771-73-7

Structural Information

Molecular Formula
C20H31N
SMILES
CCCCCCN1CCC2(C(C1CC3=CC=CC=C32)C)C
InChI
InChI=1S/C20H31N/c1-4-5-6-9-13-21-14-12-20(3)16(2)19(21)15-17-10-7-8-11-18(17)20/h7-8,10-11,16,19H,4-6,9,12-15H2,1-3H3
InChIKey
XFQUHHJOJYTVBV-UHFFFAOYSA-N
Compound name
10-hexyl-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

285.24564 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.25292 173.9
[M+Na]+ 308.23486 179.2
[M-H]- 284.23836 174.8
[M+NH4]+ 303.27946 193.3
[M+K]+ 324.20880 173.7
[M+H-H2O]+ 268.24290 165.7
[M+HCOO]- 330.24384 186.8
[M+CH3COO]- 344.25949 207.6
[M+Na-2H]- 306.22031 177.8
[M]+ 285.24509 172.8
[M]- 285.24619 172.8
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.