CID 15040384

2-methoxy-4-methylcyclohexan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CCC(=O)C(C1)OC
InChI
InChI=1S/C8H14O2/c1-6-3-4-7(9)8(5-6)10-2/h6,8H,3-5H2,1-2H3
InChIKey
UVPDEOOEAZQBIO-UHFFFAOYSA-N
Compound name
2-methoxy-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 128.4
[M+Na]+ 165.088598 135.3
[M-H]- 141.092104 131.9
[M+NH4]+ 160.133203 150.3
[M+K]+ 181.062538 134.9
[M+H-H2O]+ 125.096640 123.5
[M+HCOO]- 187.097581 149.7
[M+CH3COO]- 201.113231 174.8
[M+Na-2H]- 163.074046 133.0
[M]+ 142.09883142 126.7
[M]- 142.09992858 126.7
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