CID 587640

Dtxsid001184570

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1CCC(C(=O)C1=CO)C(C)C
InChI
InChI=1S/C11H18O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h6-9,12H,4-5H2,1-3H3
InChIKey
YIQAYHQJSPWHMX-UHFFFAOYSA-N
Compound name
2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.9
[M+Na]+ 205.119898 147.2
[M-H]- 181.123404 142.9
[M+NH4]+ 200.164503 160.7
[M+K]+ 221.093838 145.0
[M+H-H2O]+ 165.127940 136.2
[M+HCOO]- 227.128881 158.8
[M+CH3COO]- 241.144531 181.8
[M+Na-2H]- 203.105346 141.5
[M]+ 182.13013142 137.3
[M]- 182.13122858 137.3
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.