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

99
Patents

196.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 149.5
[M+Na]+ 219.17193 153.0
[M-H]- 195.17543 151.7
[M+NH4]+ 214.21653 168.8
[M+K]+ 235.14587 151.3
[M+H-H2O]+ 179.17997 143.6
[M+HCOO]- 241.18091 167.7
[M+CH3COO]- 255.19656 187.7
[M+Na-2H]- 217.15738 150.6
[M]+ 196.18216 147.0
[M]- 196.18326 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