CID 6085424

2-naphthyl 9-octadecenoate

Structural Information

Molecular Formula
C28H40O2
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C28H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(29)30-27-23-22-25-19-17-18-20-26(25)24-27/h9-10,17-20,22-24H,2-8,11-16,21H2,1H3/b10-9+
InChIKey
VTNGGKHMERMEIU-MDZDMXLPSA-N
Compound name
naphthalen-2-yl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.30283 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.31011 210.6
[M+Na]+ 431.29205 212.3
[M-H]- 407.29555 212.0
[M+NH4]+ 426.33665 222.1
[M+K]+ 447.26599 205.3
[M+H-H2O]+ 391.30009 201.1
[M+HCOO]- 453.30103 228.2
[M+CH3COO]- 467.31668 228.5
[M+Na-2H]- 429.27750 209.5
[M]+ 408.30228 216.7
[M]- 408.30338 216.7
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