CID 169992
Einecs 253-757-6
Structural Information
- Molecular Formula
- C14H22O2
- SMILES
- CC1(C2CC=C(C1C2)CCCC(=O)OC)C
- InChI
- InChI=1S/C14H22O2/c1-14(2)11-8-7-10(12(14)9-11)5-4-6-13(15)16-3/h7,11-12H,4-6,8-9H2,1-3H3
- InChIKey
- MBUKQPVDYQVJCI-UHFFFAOYSA-N
- Compound name
- methyl 4-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)butanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.16927 | 165.4 |
[M+Na]+ | 245.15121 | 170.2 |
[M-H]- | 221.15471 | 164.5 |
[M+NH4]+ | 240.19581 | 183.7 |
[M+K]+ | 261.12515 | 171.0 |
[M+H-H2O]+ | 205.15925 | 156.7 |
[M+HCOO]- | 267.16019 | 178.1 |
[M+CH3COO]- | 281.17584 | 199.1 |
[M+Na-2H]- | 243.13666 | 172.2 |
[M]+ | 222.16144 | 179.9 |
[M]- | 222.16254 | 179.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.