CID 18172
8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid
Structural Information
- Molecular Formula
- C18H32O4
- SMILES
- CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)O
- InChI
- InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
- InChIKey
- LAIUZQCFIABNDP-UHFFFAOYSA-N
- Compound name
- 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.23735 | 179.7 |
[M+Na]+ | 335.21929 | 184.7 |
[M-H]- | 311.22279 | 186.1 |
[M+NH4]+ | 330.26389 | 181.7 |
[M+K]+ | 351.19323 | 183.2 |
[M+H-H2O]+ | 295.22733 | 172.3 |
[M+HCOO]- | 357.22827 | 194.2 |
[M+CH3COO]- | 371.24392 | 215.9 |
[M+Na-2H]- | 333.20474 | 179.4 |
[M]+ | 312.22952 | 190.4 |
[M]- | 312.23062 | 190.4 |