CID 494366

Nsc617619

Structural Information

Molecular Formula
C21H39NO2
SMILES
CCCCCC1CCCC2C1CCC(N2)CCCCC3OCCO3
InChI
InChI=1S/C21H39NO2/c1-2-3-4-8-17-9-7-11-20-19(17)14-13-18(22-20)10-5-6-12-21-23-15-16-24-21/h17-22H,2-16H2,1H3
InChIKey
LDCGAVUFDNRQGS-UHFFFAOYSA-N
Compound name
2-[4-(1,3-dioxolan-2-yl)butyl]-5-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.29807 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.30535 190.1
[M+Na]+ 360.28729 189.2
[M-H]- 336.29079 192.6
[M+NH4]+ 355.33189 201.2
[M+K]+ 376.26123 186.3
[M+H-H2O]+ 320.29533 181.6
[M+HCOO]- 382.29627 198.0
[M+CH3COO]- 396.31192 209.6
[M+Na-2H]- 358.27274 187.0
[M]+ 337.29752 184.4
[M]- 337.29862 184.4
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.