CID 58444071

1-ethylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C9H16O
SMILES
CCC1(CCCCC1)C=O
InChI
InChI=1S/C9H16O/c1-2-9(8-10)6-4-3-5-7-9/h8H,2-7H2,1H3
InChIKey
QCDIZJDGYAZJDS-UHFFFAOYSA-N
Compound name
1-ethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 132.7
[M+Na]+ 163.10934 143.7
[M+NH4]+ 158.15394 143.4
[M+K]+ 179.08328 134.9
[M-H]- 139.11284 134.9
[M+Na-2H]- 161.09479 139.7
[M]+ 140.11957 134.9
[M]- 140.12067 134.9
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

patents stripe