CID 5112917
Schembl16015736
Structural Information
- Molecular Formula
- C11H16O2
- SMILES
- CC(=O)OC1=CCC2CC1C2(C)C
- InChI
- InChI=1S/C11H16O2/c1-7(12)13-10-5-4-8-6-9(10)11(8,2)3/h5,8-9H,4,6H2,1-3H3
- InChIKey
- NDZMNXNMVVXBAF-UHFFFAOYSA-N
- Compound name
- (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl) acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.12232 | 150.7 |
[M+Na]+ | 203.10426 | 156.9 |
[M-H]- | 179.10776 | 150.5 |
[M+NH4]+ | 198.14886 | 170.8 |
[M+K]+ | 219.07820 | 158.4 |
[M+H-H2O]+ | 163.11230 | 142.7 |
[M+HCOO]- | 225.11324 | 164.5 |
[M+CH3COO]- | 239.12889 | 190.6 |
[M+Na-2H]- | 201.08971 | 159.3 |
[M]+ | 180.11449 | 164.4 |
[M]- | 180.11559 | 164.4 |
Literature stripe
No literature data available for this compound.