CID 20556960

Naphthalen-2-yl nonanoate

Structural Information

Molecular Formula
C19H24O2
SMILES
CCCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H24O2/c1-2-3-4-5-6-7-12-19(20)21-18-14-13-16-10-8-9-11-17(16)15-18/h8-11,13-15H,2-7,12H2,1H3
InChIKey
MKROVNPMTNPUNZ-UHFFFAOYSA-N
Compound name
naphthalen-2-yl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.17764 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 170.4
[M+Na]+ 307.166858 175.8
[M-H]- 283.170364 173.7
[M+NH4]+ 302.211463 187.2
[M+K]+ 323.140798 171.6
[M+H-H2O]+ 267.174900 162.8
[M+HCOO]- 329.175841 191.0
[M+CH3COO]- 343.191491 203.3
[M+Na-2H]- 305.152306 174.4
[M]+ 284.17709142 174.3
[M]- 284.17818858 174.3
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

patents stripe