CID 131802500
Dg(a-17:0/i-18:0/0:0)
Structural Information
- Molecular Formula
- C38H74O5
- SMILES
- CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C38H74O5/c1-5-35(4)29-25-21-17-13-10-11-14-18-22-26-30-37(40)42-33-36(32-39)43-38(41)31-27-23-19-15-9-7-6-8-12-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1
- InChIKey
- KQWGJYDAKDZDHT-UHBYFKDRSA-N
- Compound name
- [(2S)-1-hydroxy-3-(14-methylhexadecanoyloxy)propan-2-yl] 16-methylheptadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 611.56093 | 262.1 |
[M+Na]+ | 633.54287 | 267.3 |
[M-H]- | 609.54637 | 250.2 |
[M+NH4]+ | 628.58747 | 267.2 |
[M+K]+ | 649.51681 | 270.7 |
[M+H-H2O]+ | 593.55091 | 263.2 |
[M+HCOO]- | 655.55185 | 258.3 |
[M+CH3COO]- | 669.56750 | 267.9 |
[M+Na-2H]- | 631.52832 | 246.1 |
[M]+ | 610.55310 | 261.9 |
[M]- | 610.55420 | 261.9 |
Literature stripe
Patent stripe
No patent data available for this compound.