CID 4439980

4,4-dimethoxy-2-methylbutan-2-ol

Structural Information

Molecular Formula
C7H16O3
SMILES
CC(C)(CC(OC)OC)O
InChI
InChI=1S/C7H16O3/c1-7(2,8)5-6(9-3)10-4/h6,8H,5H2,1-4H3
InChIKey
RLJXZLBECCIWMU-UHFFFAOYSA-N
Compound name
4,4-dimethoxy-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

148.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.117216 133.0
[M+Na]+ 171.099158 139.6
[M-H]- 147.102664 132.1
[M+NH4]+ 166.143763 153.9
[M+K]+ 187.073098 140.5
[M+H-H2O]+ 131.107200 129.1
[M+HCOO]- 193.108141 153.2
[M+CH3COO]- 207.123791 174.6
[M+Na-2H]- 169.084606 138.6
[M]+ 148.10939142 136.0
[M]- 148.11048858 136.0
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