CID 91996549

Alpha,beta,4-trimethylcyclohex-3-ene-1-propan-1-al

Structural Information

Molecular Formula
C12H20O
SMILES
CC1=CCC(CC1)C(C)C(C)C=O
InChI
InChI=1S/C12H20O/c1-9-4-6-12(7-5-9)11(3)10(2)8-13/h4,8,10-12H,5-7H2,1-3H3
InChIKey
BWEVBHHGPXKUBQ-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-methylcyclohex-3-en-1-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 142.8
[M+Na]+ 203.140628 147.6
[M-H]- 179.144134 145.7
[M+NH4]+ 198.185233 162.8
[M+K]+ 219.114568 146.3
[M+H-H2O]+ 163.148670 137.2
[M+HCOO]- 225.149611 161.9
[M+CH3COO]- 239.165261 185.1
[M+Na-2H]- 201.126076 144.3
[M]+ 180.15086142 140.8
[M]- 180.15195858 140.8
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.