CID 5362817
(6e)-octa-1,6-diene
Structural Information
- Molecular Formula
- C8H14
- SMILES
- C/C=C/CCCC=C
- InChI
- InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4,6H,1,5,7-8H2,2H3/b6-4+
- InChIKey
- RJUCIROUEDJQIB-GQCTYLIASA-N
- Compound name
- (6E)-octa-1,6-diene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 111.11683 | 124.4 |
[M+Na]+ | 133.09877 | 131.5 |
[M-H]- | 109.10227 | 124.6 |
[M+NH4]+ | 128.14337 | 147.6 |
[M+K]+ | 149.07271 | 129.8 |
[M+H-H2O]+ | 93.106810 | 120.3 |
[M+HCOO]- | 155.10775 | 148.0 |
[M+CH3COO]- | 169.12340 | 171.0 |
[M+Na-2H]- | 131.08422 | 130.8 |
[M]+ | 110.10900 | 125.0 |
[M]- | 110.11010 | 125.0 |