CID 3015385

4-methoxy-2-methylbutan-2-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)(CCOC)O
InChI
InChI=1S/C6H14O2/c1-6(2,7)4-5-8-3/h7H,4-5H2,1-3H3
InChIKey
LHUPIZXVJQEKCY-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

118.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.106656 125.5
[M+Na]+ 141.088598 132.8
[M-H]- 117.092104 124.7
[M+NH4]+ 136.133203 147.7
[M+K]+ 157.062538 133.0
[M+H-H2O]+ 101.096640 121.9
[M+HCOO]- 163.097581 146.8
[M+CH3COO]- 177.113231 168.8
[M+Na-2H]- 139.074046 132.8
[M]+ 118.09883142 127.3
[M]- 118.09992858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.