CID 6437648
Geranyl 2-methylbutyrate
Structural Information
- Molecular Formula
- C15H26O2
- SMILES
- CCC(C)C(=O)OC/C=C(\C)/CCC=C(C)C
- InChI
- InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
- InChIKey
- PEQMAZJTEUEQJP-JLHYYAGUSA-N
- Compound name
- [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.20056 | 162.7 |
[M+Na]+ | 261.18250 | 166.5 |
[M-H]- | 237.18600 | 161.9 |
[M+NH4]+ | 256.22710 | 180.5 |
[M+K]+ | 277.15644 | 165.0 |
[M+H-H2O]+ | 221.19054 | 157.2 |
[M+HCOO]- | 283.19148 | 180.8 |
[M+CH3COO]- | 297.20713 | 196.9 |
[M+Na-2H]- | 259.16795 | 160.1 |
[M]+ | 238.19273 | 165.4 |
[M]- | 238.19383 | 165.4 |