CID 568501

1,1-diethoxy-2-methylbutane

Structural Information

Molecular Formula
C9H20O2
SMILES
CCC(C)C(OCC)OCC
InChI
InChI=1S/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3
InChIKey
PAPSQZAQCBGYCJ-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-methylbutane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

61
Patents

160.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 139.5
[M+Na]+ 183.13555 145.1
[M-H]- 159.13905 139.5
[M+NH4]+ 178.18015 160.6
[M+K]+ 199.10949 146.0
[M+H-H2O]+ 143.14359 134.6
[M+HCOO]- 205.14453 160.9
[M+CH3COO]- 219.16018 182.0
[M+Na-2H]- 181.12100 142.5
[M]+ 160.14578 143.6
[M]- 160.14688 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe