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

14
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.2
[M+Na]+ 163.109338 136.6
[M-H]- 139.112844 134.1
[M+NH4]+ 158.153943 154.6
[M+K]+ 179.083278 135.7
[M+H-H2O]+ 123.117380 126.5
[M+HCOO]- 185.118321 151.8
[M+CH3COO]- 199.133971 173.2
[M+Na-2H]- 161.094786 137.5
[M]+ 140.11957142 127.8
[M]- 140.12066858 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