CID 165686980

3-(3,3-dimethylcyclohexyl)propanal

Structural Information

Molecular Formula
C11H20O
SMILES
CC1(CCCC(C1)CCC=O)C
InChI
InChI=1S/C11H20O/c1-11(2)7-3-5-10(9-11)6-4-8-12/h8,10H,3-7,9H2,1-2H3
InChIKey
JPNPJEAEQCOXIA-UHFFFAOYSA-N
Compound name
3-(3,3-dimethylcyclohexyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.6
[M+Na]+ 191.14063 151.6
[M+NH4]+ 186.18523 151.0
[M+K]+ 207.11457 142.5
[M-H]- 167.14413 142.8
[M+Na-2H]- 189.12608 147.0
[M]+ 168.15086 142.9
[M]- 168.15196 142.9
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

No patent data available for this compound.