CID 83453
1,1-di-isobutoxy-3-methylbutane
Structural Information
- Molecular Formula
- C13H28O2
- SMILES
- CC(C)CC(OCC(C)C)OCC(C)C
- InChI
- InChI=1S/C13H28O2/c1-10(2)7-13(14-8-11(3)4)15-9-12(5)6/h10-13H,7-9H2,1-6H3
- InChIKey
- XQJQKXSIFKNEPF-UHFFFAOYSA-N
- Compound name
- 3-methyl-1,1-bis(2-methylpropoxy)butane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.21620 | 158.3 |
[M+Na]+ | 239.19814 | 161.9 |
[M-H]- | 215.20164 | 157.7 |
[M+NH4]+ | 234.24274 | 177.0 |
[M+K]+ | 255.17208 | 162.6 |
[M+H-H2O]+ | 199.20618 | 152.9 |
[M+HCOO]- | 261.20712 | 176.4 |
[M+CH3COO]- | 275.22277 | 195.7 |
[M+Na-2H]- | 237.18359 | 156.6 |
[M]+ | 216.20837 | 162.6 |
[M]- | 216.20947 | 162.6 |
Literature stripe
No literature data available for this compound.