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

0
Patents

142.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.7
[M+Na]+ 165.08860 136.1
[M-H]- 141.09210 131.8
[M+NH4]+ 160.13320 152.6
[M+K]+ 181.06254 135.0
[M+H-H2O]+ 125.09664 125.7
[M+HCOO]- 187.09758 149.4
[M+CH3COO]- 201.11323 170.6
[M+Na-2H]- 163.07405 135.5
[M]+ 142.09883 126.0
[M]- 142.09993 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