CID 54593809

1-methoxy-4-methylpentan-3-one

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)C(=O)CCOC
InChI
InChI=1S/C7H14O2/c1-6(2)7(8)4-5-9-3/h6H,4-5H2,1-3H3
InChIKey
VUEKVRBSKXKONO-UHFFFAOYSA-N
Compound name
1-methoxy-4-methylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 128.3
[M+Na]+ 153.088598 135.0
[M-H]- 129.092104 128.7
[M+NH4]+ 148.133203 150.5
[M+K]+ 169.062538 135.9
[M+H-H2O]+ 113.096640 123.9
[M+HCOO]- 175.097581 150.5
[M+CH3COO]- 189.113231 175.0
[M+Na-2H]- 151.074046 132.5
[M]+ 130.09883142 130.9
[M]- 130.09992858 130.9
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

patents stripe