CID 16076554

(2e)-n-[2-(3,4,4a,5,6,7,8,8a-octahydro-2h-quinolin-1-yl)ethyl]-3,7-dimethyl-octa-2,6-dien-1-amine

Structural Information

Molecular Formula
C21H38N2
SMILES
CC(=CCC/C(=C/CNCCN1CCCC2C1CCCC2)/C)C
InChI
InChI=1S/C21H38N2/c1-18(2)8-6-9-19(3)13-14-22-15-17-23-16-7-11-20-10-4-5-12-21(20)23/h8,13,20-22H,4-7,9-12,14-17H2,1-3H3/b19-13+
InChIKey
WHPUPNMFEDQBKS-CPNJWEJPSA-N
Compound name
(2E)-N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 186.7
[M+Na]+ 341.29272 185.3
[M-H]- 317.29622 186.1
[M+NH4]+ 336.33732 199.9
[M+K]+ 357.26666 180.3
[M+H-H2O]+ 301.30076 178.0
[M+HCOO]- 363.30170 197.7
[M+CH3COO]- 377.31735 214.1
[M+Na-2H]- 339.27817 183.8
[M]+ 318.30295 179.5
[M]- 318.30405 179.5
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.