CID 154577500
2418669-31-3
Structural Information
- Molecular Formula
- C12H21NO5
- SMILES
- CC(C)(C)OC(=O)N1CCOCC(C1)CC(=O)O
- InChI
- InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-4-5-17-8-9(7-13)6-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
- InChIKey
- WOSQXVZNDMDUOY-UHFFFAOYSA-N
- Compound name
- 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.14925 | 151.5 |
[M+Na]+ | 282.13119 | 153.8 |
[M-H]- | 258.13469 | 153.4 |
[M+NH4]+ | 277.17579 | 163.9 |
[M+K]+ | 298.10513 | 159.7 |
[M+H-H2O]+ | 242.13923 | 145.3 |
[M+HCOO]- | 304.14017 | 164.8 |
[M+CH3COO]- | 318.15582 | 192.7 |
[M+Na-2H]- | 280.11664 | 154.0 |
[M]+ | 259.14142 | 148.6 |
[M]- | 259.14252 | 148.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.