CID 112061
3-methyldodecanal
Structural Information
- Molecular Formula
- C13H26O
- SMILES
- CCCCCCCCCC(C)CC=O
- InChI
- InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h12-13H,3-11H2,1-2H3
- InChIKey
- DMUYDOMEUFYLKM-UHFFFAOYSA-N
- Compound name
- 3-methyldodecanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.20564 | 153.0 |
[M+Na]+ | 221.18758 | 157.4 |
[M-H]- | 197.19108 | 152.2 |
[M+NH4]+ | 216.23218 | 172.6 |
[M+K]+ | 237.16152 | 155.7 |
[M+H-H2O]+ | 181.19562 | 147.5 |
[M+HCOO]- | 243.19656 | 174.0 |
[M+CH3COO]- | 257.21221 | 190.4 |
[M+Na-2H]- | 219.17303 | 155.1 |
[M]+ | 198.19781 | 157.1 |
[M]- | 198.19891 | 157.1 |