CID 90409878
2-(1,4-dioxepan-6-yl)aceticacid
Structural Information
- Molecular Formula
- C7H12O4
- SMILES
- C1COCC(CO1)CC(=O)O
- InChI
- InChI=1S/C7H12O4/c8-7(9)3-6-4-10-1-2-11-5-6/h6H,1-5H2,(H,8,9)
- InChIKey
- UCIWBVYKYCFWPK-UHFFFAOYSA-N
- Compound name
- 2-(1,4-dioxepan-6-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08084 | 133.1 |
[M+Na]+ | 183.06278 | 140.6 |
[M+NH4]+ | 178.10738 | 139.3 |
[M+K]+ | 199.03672 | 139.1 |
[M-H]- | 159.06628 | 135.1 |
[M+Na-2H]- | 181.04823 | 135.7 |
[M]+ | 160.07301 | 134.4 |
[M]- | 160.07411 | 134.4 |
Literature stripe
No literature data available for this compound.