CID 12395952

2-ethyl-2-hydroxycyclohexan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CCCCC1=O)O
InChI
InChI=1S/C8H14O2/c1-2-8(10)6-4-3-5-7(8)9/h10H,2-6H2,1H3
InChIKey
YXITUPBRWWEMIW-UHFFFAOYSA-N
Compound name
2-ethyl-2-hydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 129.7
[M+Na]+ 165.088598 136.1
[M-H]- 141.092104 131.8
[M+NH4]+ 160.133203 152.6
[M+K]+ 181.062538 135.0
[M+H-H2O]+ 125.096640 125.7
[M+HCOO]- 187.097581 149.4
[M+CH3COO]- 201.113231 170.6
[M+Na-2H]- 163.074046 135.5
[M]+ 142.09883142 126.0
[M]- 142.09992858 126.0
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