CID 10177014
1,2-dibutyrin
Structural Information
- Molecular Formula
- C11H20O5
- SMILES
- CCCC(=O)OCC(CO)OC(=O)CCC
- InChI
- InChI=1S/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
- InChIKey
- AWHAUPZHZYUHOM-UHFFFAOYSA-N
- Compound name
- (2-butanoyloxy-3-hydroxypropyl) butanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.13835 | 154.9 |
[M+Na]+ | 255.12029 | 159.5 |
[M-H]- | 231.12379 | 153.1 |
[M+NH4]+ | 250.16489 | 172.0 |
[M+K]+ | 271.09423 | 159.8 |
[M+H-H2O]+ | 215.12833 | 149.3 |
[M+HCOO]- | 277.12927 | 174.2 |
[M+CH3COO]- | 291.14492 | 189.0 |
[M+Na-2H]- | 253.10574 | 155.2 |
[M]+ | 232.13052 | 160.0 |
[M]- | 232.13162 | 160.0 |