CID 134812492
Phddia-pa
Structural Information
- Molecular Formula
- C31H57O11P
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(/C=C/C(=O)O)O
- InChI
- InChI=1S/C31H57O11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(35)40-25-28(26-41-43(37,38)39)42-31(36)22-19-16-13-14-17-20-27(32)23-24-29(33)34/h23-24,27-28,32H,2-22,25-26H2,1H3,(H,33,34)(H2,37,38,39)/b24-23+/t27?,28-/m1/s1
- InChIKey
- PJPSNMGIUHJDAO-DGNXXYLPSA-N
- Compound name
- (E)-12-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4-hydroxy-12-oxododec-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 637.37111 | 251.7 |
[M+Na]+ | 659.35305 | 251.9 |
[M-H]- | 635.35655 | 248.2 |
[M+NH4]+ | 654.39765 | 256.9 |
[M+K]+ | 675.32699 | 251.7 |
[M+H-H2O]+ | 619.36109 | 241.9 |
[M+HCOO]- | 681.36203 | 248.3 |
[M+CH3COO]- | 695.37768 | 257.7 |
[M+Na-2H]- | 657.33850 | 232.7 |
[M]+ | 636.36328 | 249.1 |
[M]- | 636.36438 | 249.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.