CID 59557434

4-(2-methylpropyl)cyclohexanepropanal

Structural Information

Molecular Formula
C13H24O
SMILES
CC(C)CC1CCC(CC1)CCC=O
InChI
InChI=1S/C13H24O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h9,11-13H,3-8,10H2,1-2H3
InChIKey
XUTZHJNXAOHUTM-UHFFFAOYSA-N
Compound name
3-[4-(2-methylpropyl)cyclohexyl]propanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

103
Patents

196.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 149.5
[M+Na]+ 219.171928 153.0
[M-H]- 195.175434 151.7
[M+NH4]+ 214.216533 168.8
[M+K]+ 235.145868 151.3
[M+H-H2O]+ 179.179970 143.6
[M+HCOO]- 241.180911 167.7
[M+CH3COO]- 255.196561 187.7
[M+Na-2H]- 217.157376 150.6
[M]+ 196.18216142 147.0
[M]- 196.18325858 147.0
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