CID 175758
1-cycloheptyl-4-isopropylbicycloorthocarboxylate
Structural Information
- Molecular Formula
- C15H26O3
- SMILES
- CC(C)C12COC(OC1)(OC2)C3CCCCCC3
- InChI
- InChI=1S/C15H26O3/c1-12(2)14-9-16-15(17-10-14,18-11-14)13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3
- InChIKey
- AHNVODNCOKVXDF-UHFFFAOYSA-N
- Compound name
- 1-cycloheptyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.19548 | 154.6 |
[M+Na]+ | 277.17742 | 156.2 |
[M-H]- | 253.18092 | 156.8 |
[M+NH4]+ | 272.22202 | 174.1 |
[M+K]+ | 293.15136 | 157.7 |
[M+H-H2O]+ | 237.18546 | 149.8 |
[M+HCOO]- | 299.18640 | 159.2 |
[M+CH3COO]- | 313.20205 | 163.4 |
[M+Na-2H]- | 275.16287 | 164.8 |
[M]+ | 254.18765 | 151.8 |
[M]- | 254.18875 | 151.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.