CID 108625
1,1-diethoxynonane
Structural Information
- Molecular Formula
- C13H28O2
- SMILES
- CCCCCCCCC(OCC)OCC
- InChI
- InChI=1S/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3
- InChIKey
- RJMSGTVQHHFVLK-UHFFFAOYSA-N
- Compound name
- 1,1-diethoxynonane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.21620 | 157.9 |
[M+Na]+ | 239.19814 | 161.9 |
[M-H]- | 215.20164 | 156.9 |
[M+NH4]+ | 234.24274 | 176.7 |
[M+K]+ | 255.17208 | 161.3 |
[M+H-H2O]+ | 199.20618 | 152.0 |
[M+HCOO]- | 261.20712 | 178.8 |
[M+CH3COO]- | 275.22277 | 193.1 |
[M+Na-2H]- | 237.18359 | 159.9 |
[M]+ | 216.20837 | 164.1 |
[M]- | 216.20947 | 164.1 |