CID 6380388

2-(2-ethylbutylidene)-1-cyclohexanone

Structural Information

Molecular Formula
C12H20O
SMILES
CCC(CC)/C=C/1\CCCCC1=O
InChI
InChI=1S/C12H20O/c1-3-10(4-2)9-11-7-5-6-8-12(11)13/h9-10H,3-8H2,1-2H3/b11-9+
InChIKey
TZLYHTNSBQIYQA-PKNBQFBNSA-N
Compound name
(2E)-2-(2-ethylbutylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 143.4
[M+Na]+ 203.140628 147.8
[M-H]- 179.144134 146.0
[M+NH4]+ 198.185233 163.5
[M+K]+ 219.114568 145.7
[M+H-H2O]+ 163.148670 137.9
[M+HCOO]- 225.149611 162.3
[M+CH3COO]- 239.165261 183.1
[M+Na-2H]- 201.126076 145.2
[M]+ 180.15086142 139.8
[M]- 180.15195858 139.8
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.