CID 2736917

62435-37-4

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
InChIKey
JCVLYBQFVTYGKT-UHFFFAOYSA-N
Compound name
methyl 4-octoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

264.17255 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 164.7
[M+Na]+ 287.161768 170.1
[M-H]- 263.165274 167.5
[M+NH4]+ 282.206373 181.5
[M+K]+ 303.135708 167.9
[M+H-H2O]+ 247.169810 157.6
[M+HCOO]- 309.170751 186.9
[M+CH3COO]- 323.186401 198.9
[M+Na-2H]- 285.147216 167.2
[M]+ 264.17200142 170.5
[M]- 264.17309858 170.5
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