CID 18952799

2-(4-ethylcyclohexyl)acetaldehyde

Structural Information

Molecular Formula
C10H18O
SMILES
CCC1CCC(CC1)CC=O
InChI
InChI=1S/C10H18O/c1-2-9-3-5-10(6-4-9)7-8-11/h8-10H,2-7H2,1H3
InChIKey
AJZZFYUOIDYMRC-UHFFFAOYSA-N
Compound name
2-(4-ethylcyclohexyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

154.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.4
[M+Na]+ 177.12499 140.5
[M-H]- 153.12849 138.1
[M+NH4]+ 172.16959 156.5
[M+K]+ 193.09893 139.1
[M+H-H2O]+ 137.13303 130.0
[M+HCOO]- 199.13397 155.7
[M+CH3COO]- 213.14962 177.8
[M+Na-2H]- 175.11044 139.5
[M]+ 154.13522 132.5
[M]- 154.13632 132.5
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