CID 205705

18514-30-2

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(C)C(CCN1CCOCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H29NO/c1-3-17(2)19(11-12-22-13-15-23-16-14-22)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,17,19H,3,11-16H2,1-2H3
InChIKey
VIAZHWCNOWLMJN-UHFFFAOYSA-N
Compound name
4-(4-methyl-3-naphthalen-1-ylhexyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 179.2
[M+Na]+ 334.214118 181.4
[M-H]- 310.217624 183.8
[M+NH4]+ 329.258723 191.3
[M+K]+ 350.188058 178.0
[M+H-H2O]+ 294.222160 169.4
[M+HCOO]- 356.223101 192.4
[M+CH3COO]- 370.238751 209.1
[M+Na-2H]- 332.199566 181.0
[M]+ 311.22435142 176.5
[M]- 311.22544858 176.5
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.