CID 131803156
Tg(12:0/12:0/a-15:0)[rac]
Structural Information
- Molecular Formula
- C42H80O6
- SMILES
- CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC
- InChI
- InChI=1S/C42H80O6/c1-5-8-10-12-14-16-21-25-29-33-40(43)46-36-39(48-42(45)35-31-27-23-17-15-13-11-9-6-2)37-47-41(44)34-30-26-22-19-18-20-24-28-32-38(4)7-3/h38-39H,5-37H2,1-4H3/t38?,39-/m0/s1
- InChIKey
- PGOCROMVSQNGMJ-RVFUZGKFSA-N
- Compound name
- [(2S)-2,3-di(dodecanoyloxy)propyl] 12-methyltetradecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 681.60278 | 277.5 |
[M+Na]+ | 703.58472 | 283.1 |
[M-H]- | 679.58822 | 266.0 |
[M+NH4]+ | 698.62932 | 286.0 |
[M+K]+ | 719.55866 | 287.6 |
[M+H-H2O]+ | 663.59276 | 279.6 |
[M+HCOO]- | 725.59370 | 274.8 |
[M+CH3COO]- | 739.60935 | 281.3 |
[M+Na-2H]- | 701.57017 | 260.7 |
[M]+ | 680.59495 | 278.8 |
[M]- | 680.59605 | 278.8 |
Literature stripe
Patent stripe
No patent data available for this compound.