CID 11137732

4868-24-0

Structural Information

Molecular Formula
C12H20O
SMILES
CCCCCCC1=C(CCC1=O)C
InChI
InChI=1S/C12H20O/c1-3-4-5-6-7-11-10(2)8-9-12(11)13/h3-9H2,1-2H3
InChIKey
JAPZZAUIIPKQJW-UHFFFAOYSA-N
Compound name
2-hexyl-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 142.8
[M+Na]+ 203.140628 150.0
[M-H]- 179.144134 146.1
[M+NH4]+ 198.185233 165.2
[M+K]+ 219.114568 147.7
[M+H-H2O]+ 163.148670 137.6
[M+HCOO]- 225.149611 166.1
[M+CH3COO]- 239.165261 184.4
[M+Na-2H]- 201.126076 144.9
[M]+ 180.15086142 144.6
[M]- 180.15195858 144.6
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