CID 78070

3-cyclohexylpropanal

Structural Information

Molecular Formula
C9H16O
SMILES
C1CCC(CC1)CCC=O
InChI
InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2
InChIKey
RKFNAZGRJVNWEW-UHFFFAOYSA-N
Compound name
3-cyclohexylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1078
Patents

140.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 132.2
[M+Na]+ 163.10934 143.1
[M+NH4]+ 158.15394 141.5
[M+K]+ 179.08328 135.9
[M-H]- 139.11284 134.4
[M+Na-2H]- 161.09479 137.7
[M]+ 140.11957 134.2
[M]- 140.12067 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe