CID 4646499
38454-39-6
Structural Information
- Molecular Formula
- C26H36O4
- SMILES
- CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
- InChI
- InChI=1S/C26H36O4/c1-3-5-7-9-11-21-29-24-16-18-25(19-17-24)30-26(27)22-12-14-23(15-13-22)28-20-10-8-6-4-2/h12-19H,3-11,20-21H2,1-2H3
- InChIKey
- JYWUHAZQZQGGAA-UHFFFAOYSA-N
- Compound name
- (4-heptoxyphenyl) 4-hexoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.26863 | 206.9 |
[M+Na]+ | 435.25057 | 209.7 |
[M-H]- | 411.25407 | 211.6 |
[M+NH4]+ | 430.29517 | 217.1 |
[M+K]+ | 451.22451 | 205.4 |
[M+H-H2O]+ | 395.25861 | 196.7 |
[M+HCOO]- | 457.25955 | 227.1 |
[M+CH3COO]- | 471.27520 | 227.3 |
[M+Na-2H]- | 433.23602 | 205.7 |
[M]+ | 412.26080 | 215.1 |
[M]- | 412.26190 | 215.1 |