CID 4689974

Methyl 4-(hexadecyloxy)benzoate

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C24H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-23-19-17-22(18-20-23)24(25)26-2/h17-20H,3-16,21H2,1-2H3
InChIKey
WQOJBUZKWYRALG-UHFFFAOYSA-N
Compound name
methyl 4-hexadecoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

376.29776 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 201.4
[M+Na]+ 399.28698 203.2
[M-H]- 375.29048 202.4
[M+NH4]+ 394.33158 213.4
[M+K]+ 415.26092 199.0
[M+H-H2O]+ 359.29502 192.6
[M+HCOO]- 421.29596 220.7
[M+CH3COO]- 435.31161 222.6
[M+Na-2H]- 397.27243 199.4
[M]+ 376.29721 210.0
[M]- 376.29831 210.0
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.