CID 11333063

2-[4-(2-methylbutan-2-yl)cyclohexyl]acetaldehyde

Structural Information

Molecular Formula
C13H24O
SMILES
CCC(C)(C)C1CCC(CC1)CC=O
InChI
InChI=1S/C13H24O/c1-4-13(2,3)12-7-5-11(6-8-12)9-10-14/h10-12H,4-9H2,1-3H3
InChIKey
VSJZJBVOENMSRL-UHFFFAOYSA-N
Compound name
2-[4-(2-methylbutan-2-yl)cyclohexyl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

196.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.6
[M+Na]+ 219.171928 152.9
[M-H]- 195.175434 151.1
[M+NH4]+ 214.216533 168.2
[M+K]+ 235.145868 151.1
[M+H-H2O]+ 179.179970 143.3
[M+HCOO]- 241.180911 166.4
[M+CH3COO]- 255.196561 187.2
[M+Na-2H]- 217.157376 151.8
[M]+ 196.18216142 146.4
[M]- 196.18325858 146.4
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