CID 44152251

77758-68-0

Structural Information

Molecular Formula
C12H20O
SMILES
CC1CCC(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/h8-9,11-12H,2,4-7H2,1,3H3
InChIKey
YIAJIVSUDZUUOG-UHFFFAOYSA-N
Compound name
3-(4-methylcyclohexyl)-2-methylidenebutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 143.1
[M+Na]+ 203.140628 147.2
[M-H]- 179.144134 145.7
[M+NH4]+ 198.185233 163.0
[M+K]+ 219.114568 145.5
[M+H-H2O]+ 163.148670 137.7
[M+HCOO]- 225.149611 160.9
[M+CH3COO]- 239.165261 184.6
[M+Na-2H]- 201.126076 143.7
[M]+ 180.15086142 139.0
[M]- 180.15195858 139.0
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