CID 6452369
Propylene dimyristate
Structural Information
- Molecular Formula
- C31H60O4
- SMILES
- CCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCC
- InChI
- InChI=1S/C31H60O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)34-28-29(3)35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
- InChIKey
- NRRPJRVSNIJDAP-UHFFFAOYSA-N
- Compound name
- 2-tetradecanoyloxypropyl tetradecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 497.45644 | 237.4 |
[M+Na]+ | 519.43838 | 244.4 |
[M-H]- | 495.44188 | 224.9 |
[M+NH4]+ | 514.48298 | 241.1 |
[M+K]+ | 535.41232 | 243.9 |
[M+H-H2O]+ | 479.44642 | 239.2 |
[M+HCOO]- | 541.44736 | 242.9 |
[M+CH3COO]- | 555.46301 | 247.9 |
[M+Na-2H]- | 517.42383 | 224.4 |
[M]+ | 496.44861 | 238.6 |
[M]- | 496.44971 | 238.6 |