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

17
Patents

196.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 148.6
[M+Na]+ 219.17193 152.9
[M-H]- 195.17543 151.1
[M+NH4]+ 214.21653 168.2
[M+K]+ 235.14587 151.1
[M+H-H2O]+ 179.17997 143.3
[M+HCOO]- 241.18091 166.4
[M+CH3COO]- 255.19656 187.2
[M+Na-2H]- 217.15738 151.8
[M]+ 196.18216 146.4
[M]- 196.18326 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