CID 14334932
1,2-dibutyl citrate
Structural Information
- Molecular Formula
- C14H24O7
- SMILES
- CCCCOC(=O)CC(CC(=O)O)(C(=O)OCCCC)O
- InChI
- InChI=1S/C14H24O7/c1-3-5-7-20-12(17)10-14(19,9-11(15)16)13(18)21-8-6-4-2/h19H,3-10H2,1-2H3,(H,15,16)
- InChIKey
- WBKYGCZSBGEBFP-UHFFFAOYSA-N
- Compound name
- 5-butoxy-3-butoxycarbonyl-3-hydroxy-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.15948 | 170.8 |
[M+Na]+ | 327.14142 | 174.2 |
[M-H]- | 303.14492 | 167.2 |
[M+NH4]+ | 322.18602 | 184.1 |
[M+K]+ | 343.11536 | 174.0 |
[M+H-H2O]+ | 287.14946 | 165.3 |
[M+HCOO]- | 349.15040 | 186.8 |
[M+CH3COO]- | 363.16605 | 199.2 |
[M+Na-2H]- | 325.12687 | 170.5 |
[M]+ | 304.15165 | 176.9 |
[M]- | 304.15275 | 176.9 |