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

39
Patents

154.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.4
[M+Na]+ 177.124988 140.5
[M-H]- 153.128494 138.1
[M+NH4]+ 172.169593 156.5
[M+K]+ 193.098928 139.1
[M+H-H2O]+ 137.133030 130.0
[M+HCOO]- 199.133971 155.7
[M+CH3COO]- 213.149621 177.8
[M+Na-2H]- 175.110436 139.5
[M]+ 154.13522142 132.5
[M]- 154.13631858 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