CID 9965325
Elisabethatriene
Structural Information
- Molecular Formula
- C20H32
- SMILES
- C[C@H]1CC[C@@H](C2=CC(=C)CC[C@H]12)[C@@H](C)CCC=C(C)C
- InChI
- InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1
- InChIKey
- DTMNMDQQDKQKIE-INDMIFKZSA-N
- Compound name
- (1R,4S,4aR)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-7-methylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 273.25768 | 170.7 |
[M+Na]+ | 295.23962 | 173.6 |
[M-H]- | 271.24312 | 173.2 |
[M+NH4]+ | 290.28422 | 188.3 |
[M+K]+ | 311.21356 | 168.8 |
[M+H-H2O]+ | 255.24766 | 164.3 |
[M+HCOO]- | 317.24860 | 183.9 |
[M+CH3COO]- | 331.26425 | 206.2 |
[M+Na-2H]- | 293.22507 | 167.7 |
[M]+ | 272.24985 | 165.7 |
[M]- | 272.25095 | 165.7 |