CID 3067039
1-((3,7-dimethyl-6-octenyl)oxy)-3-((1-methylethyl)amino)-2-propanol
Structural Information
- Molecular Formula
- C16H33NO2
- SMILES
- CC(C)NCC(COCCC(C)CCC=C(C)C)O
- InChI
- InChI=1S/C16H33NO2/c1-13(2)7-6-8-15(5)9-10-19-12-16(18)11-17-14(3)4/h7,14-18H,6,8-12H2,1-5H3
- InChIKey
- VUUODGMNTNTTIO-UHFFFAOYSA-N
- Compound name
- 1-(3,7-dimethyloct-6-enoxy)-3-(propan-2-ylamino)propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 272.25841 | 176.2 |
[M+Na]+ | 294.24035 | 177.4 |
[M-H]- | 270.24385 | 173.4 |
[M+NH4]+ | 289.28495 | 191.4 |
[M+K]+ | 310.21429 | 175.9 |
[M+H-H2O]+ | 254.24839 | 169.8 |
[M+HCOO]- | 316.24933 | 192.9 |
[M+CH3COO]- | 330.26498 | 205.3 |
[M+Na-2H]- | 292.22580 | 172.4 |
[M]+ | 271.25058 | 177.9 |
[M]- | 271.25168 | 177.9 |
Literature stripe
No literature data available for this compound.