CID 22937117
4-[(methoxycarbonyl)oxy]butan-1-ol
Structural Information
- Molecular Formula
- C6H12O4
- SMILES
- COC(=O)OCCCCO
- InChI
- InChI=1S/C6H12O4/c1-9-6(8)10-5-3-2-4-7/h7H,2-5H2,1H3
- InChIKey
- LYFFZMBJYLSUTF-UHFFFAOYSA-N
- Compound name
- 4-hydroxybutyl methyl carbonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.08084 | 130.4 |
[M+Na]+ | 171.06278 | 139.2 |
[M+NH4]+ | 166.10738 | 136.7 |
[M+K]+ | 187.03672 | 135.4 |
[M-H]- | 147.06628 | 127.9 |
[M+Na-2H]- | 169.04823 | 132.6 |
[M]+ | 148.07301 | 130.5 |
[M]- | 148.07411 | 130.5 |