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

13
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 131.2
[M+Na]+ 163.10934 136.6
[M-H]- 139.11284 134.1
[M+NH4]+ 158.15394 154.6
[M+K]+ 179.08328 135.7
[M+H-H2O]+ 123.11738 126.5
[M+HCOO]- 185.11832 151.8
[M+CH3COO]- 199.13397 173.2
[M+Na-2H]- 161.09479 137.5
[M]+ 140.11957 127.8
[M]- 140.12067 127.8
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