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]+ 181.15869 143.4
[M+Na]+ 203.14063 147.8
[M-H]- 179.14413 146.0
[M+NH4]+ 198.18523 163.5
[M+K]+ 219.11457 145.7
[M+H-H2O]+ 163.14867 137.9
[M+HCOO]- 225.14961 162.3
[M+CH3COO]- 239.16526 183.1
[M+Na-2H]- 201.12608 145.2
[M]+ 180.15086 139.8
[M]- 180.15196 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.