CID 211197

2-propylvaleric acid 1-naphthyl ester

Structural Information

Molecular Formula
C18H22O2
SMILES
CCCC(CCC)C(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H22O2/c1-3-8-15(9-4-2)18(19)20-17-13-7-11-14-10-5-6-12-16(14)17/h5-7,10-13,15H,3-4,8-9H2,1-2H3
InChIKey
GFRBTRXJMUBEAK-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 164.9
[M+Na]+ 293.15122 177.9
[M+NH4]+ 288.19582 173.4
[M+K]+ 309.12516 169.9
[M-H]- 269.15472 167.7
[M+Na-2H]- 291.13667 171.0
[M]+ 270.16145 167.6
[M]- 270.16255 167.6
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.