CID 165779308

4-(3,3-dimethylcyclohexyl)butanal

Structural Information

Molecular Formula
C12H22O
SMILES
CC1(CCCC(C1)CCCC=O)C
InChI
InChI=1S/C12H22O/c1-12(2)8-5-7-11(10-12)6-3-4-9-13/h9,11H,3-8,10H2,1-2H3
InChIKey
VKVKCPNKFOQERZ-UHFFFAOYSA-N
Compound name
4-(3,3-dimethylcyclohexyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 145.0
[M+Na]+ 205.15629 155.8
[M+NH4]+ 200.20089 155.3
[M+K]+ 221.13023 146.5
[M-H]- 181.15979 147.2
[M+Na-2H]- 203.14174 151.1
[M]+ 182.16652 147.3
[M]- 182.16762 147.3
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.