CID 91996655
Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate
Structural Information
- Molecular Formula
- C12H22O2
- SMILES
- CCC(=O)OC1C(CCC1C(C)C)C
- InChI
- InChI=1S/C12H22O2/c1-5-11(13)14-12-9(4)6-7-10(12)8(2)3/h8-10,12H,5-7H2,1-4H3
- InChIKey
- XQSZQCWCVSZOKF-UHFFFAOYSA-N
- Compound name
- (2-methyl-5-propan-2-ylcyclopentyl) propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.16927 | 148.7 |
[M+Na]+ | 221.15121 | 154.4 |
[M-H]- | 197.15471 | 151.8 |
[M+NH4]+ | 216.19581 | 170.1 |
[M+K]+ | 237.12515 | 153.7 |
[M+H-H2O]+ | 181.15925 | 143.7 |
[M+HCOO]- | 243.16019 | 168.7 |
[M+CH3COO]- | 257.17584 | 187.7 |
[M+Na-2H]- | 219.13666 | 147.3 |
[M]+ | 198.16144 | 149.1 |
[M]- | 198.16254 | 149.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.