CID 23286489
Schembl7563443
Structural Information
- Molecular Formula
- C9H14O
- SMILES
- CC(=CCCC(=C)C=O)C
- InChI
- InChI=1S/C9H14O/c1-8(2)5-4-6-9(3)7-10/h5,7H,3-4,6H2,1-2H3
- InChIKey
- UJTJTXJBWIUVFH-UHFFFAOYSA-N
- Compound name
- 6-methyl-2-methylidenehept-5-enal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.11174 | 131.2 |
[M+Na]+ | 161.09368 | 137.8 |
[M-H]- | 137.09718 | 131.4 |
[M+NH4]+ | 156.13828 | 153.0 |
[M+K]+ | 177.06762 | 136.4 |
[M+H-H2O]+ | 121.10172 | 126.9 |
[M+HCOO]- | 183.10266 | 153.0 |
[M+CH3COO]- | 197.11831 | 176.5 |
[M+Na-2H]- | 159.07913 | 134.4 |
[M]+ | 138.10391 | 131.7 |
[M]- | 138.10501 | 131.7 |