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]+ 312.23218 179.2
[M+Na]+ 334.21412 181.4
[M-H]- 310.21762 183.8
[M+NH4]+ 329.25872 191.3
[M+K]+ 350.18806 178.0
[M+H-H2O]+ 294.22216 169.4
[M+HCOO]- 356.22310 192.4
[M+CH3COO]- 370.23875 209.1
[M+Na-2H]- 332.19957 181.0
[M]+ 311.22435 176.5
[M]- 311.22545 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.