CID 20161973

Schembl10600889

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)C)OC
InChI
InChI=1S/C24H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(25)22-20-21(2)18-19-24(22)26-3/h18-20H,4-17H2,1-3H3
InChIKey
FKRYCSCPYGIRKD-UHFFFAOYSA-N
Compound name
1-(2-methoxy-5-methylphenyl)hexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

360.30283 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 197.3
[M+Na]+ 383.29205 200.1
[M-H]- 359.29555 198.8
[M+NH4]+ 378.33665 210.4
[M+K]+ 399.26599 195.4
[M+H-H2O]+ 343.30009 189.0
[M+HCOO]- 405.30103 216.4
[M+CH3COO]- 419.31668 222.5
[M+Na-2H]- 381.27750 194.7
[M]+ 360.30228 205.0
[M]- 360.30338 205.0
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.