CID 595360

56554-66-6

Structural Information

Molecular Formula
C24H38O3
SMILES
CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)OC)C(=O)OC
InChI
InChI=1S/C24H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(26-2)23(21)24(25)27-3/h9-10,17,19-20H,4-8,11-16,18H2,1-3H3
InChIKey
GWJVQEFQSYCXHT-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-6-pentadec-8-enylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.2821 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.289376 199.3
[M+Na]+ 397.271318 202.5
[M-H]- 373.274824 200.9
[M+NH4]+ 392.315923 211.8
[M+K]+ 413.245258 197.8
[M+H-H2O]+ 357.279360 190.9
[M+HCOO]- 419.280301 218.8
[M+CH3COO]- 433.295951 222.3
[M+Na-2H]- 395.256766 196.8
[M]+ 374.28155142 207.6
[M]- 374.28264858 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe