CID 112002
Propylene glycol dipropionate
Structural Information
- Molecular Formula
- C9H16O4
- SMILES
- CCC(=O)OCC(C)OC(=O)CC
- InChI
- InChI=1S/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3
- InChIKey
- KFNABOVSAPCOCY-UHFFFAOYSA-N
- Compound name
- 2-propanoyloxypropyl propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.11214 | 142.1 |
[M+Na]+ | 211.09408 | 148.2 |
[M-H]- | 187.09758 | 142.2 |
[M+NH4]+ | 206.13868 | 161.9 |
[M+K]+ | 227.06802 | 149.3 |
[M+H-H2O]+ | 171.10212 | 137.1 |
[M+HCOO]- | 233.10306 | 163.4 |
[M+CH3COO]- | 247.11871 | 183.6 |
[M+Na-2H]- | 209.07953 | 144.0 |
[M]+ | 188.10431 | 146.9 |
[M]- | 188.10541 | 146.9 |