CID 88553
[isopropylidenebis(p-phenyleneoxy)]dipropanol
Structural Information
- Molecular Formula
- C21H28O4
- SMILES
- CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO
- InChI
- InChI=1S/C21H28O4/c1-21(2,17-5-9-19(10-6-17)24-15-3-13-22)18-7-11-20(12-8-18)25-16-4-14-23/h5-12,22-23H,3-4,13-16H2,1-2H3
- InChIKey
- CPHURRLSZSRQFS-UHFFFAOYSA-N
- Compound name
- 3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 345.20604 | 185.3 |
[M+Na]+ | 367.18798 | 189.8 |
[M-H]- | 343.19148 | 188.5 |
[M+NH4]+ | 362.23258 | 197.2 |
[M+K]+ | 383.16192 | 185.6 |
[M+H-H2O]+ | 327.19602 | 177.2 |
[M+HCOO]- | 389.19696 | 203.5 |
[M+CH3COO]- | 403.21261 | 208.8 |
[M+Na-2H]- | 365.17343 | 188.2 |
[M]+ | 344.19821 | 189.1 |
[M]- | 344.19931 | 189.1 |