CID 118879

35840-23-4

Structural Information

Molecular Formula
C18H20O3
SMILES
CCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20O3/c1-3-4-5-14-6-10-17(11-7-14)21-18(19)15-8-12-16(20-2)13-9-15/h6-13H,3-5H2,1-2H3
InChIKey
IRZMTHPYWFFQMC-UHFFFAOYSA-N
Compound name
(4-butylphenyl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.14124 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.0
[M+Na]+ 307.13046 173.6
[M-H]- 283.13396 173.5
[M+NH4]+ 302.17506 182.7
[M+K]+ 323.10440 170.5
[M+H-H2O]+ 267.13850 158.9
[M+HCOO]- 329.13944 189.9
[M+CH3COO]- 343.15509 201.7
[M+Na-2H]- 305.11591 170.2
[M]+ 284.14069 171.1
[M]- 284.14179 171.1
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