CID 138260
4461-87-4
Structural Information
- Molecular Formula
- C6H14O2
- SMILES
- CCCC(OC)OC
- InChI
- InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
- InChIKey
- DZKUKLGGGNLHNY-UHFFFAOYSA-N
- Compound name
- 1,1-dimethoxybutane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 119.10666 | 125.1 |
[M+Na]+ | 141.08860 | 132.1 |
[M-H]- | 117.09210 | 125.5 |
[M+NH4]+ | 136.13320 | 147.9 |
[M+K]+ | 157.06254 | 133.4 |
[M+H-H2O]+ | 101.09664 | 120.7 |
[M+HCOO]- | 163.09758 | 148.4 |
[M+CH3COO]- | 177.11323 | 172.1 |
[M+Na-2H]- | 139.07405 | 131.0 |
[M]+ | 118.09883 | 128.7 |
[M]- | 118.09993 | 128.7 |