CID 95560

2-cyclohexylpropanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C=O)C1CCCCC1
InChI
InChI=1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKey
UQURIQWAEZGLAC-UHFFFAOYSA-N
Compound name
2-cyclohexylpropanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

859
Patents

140.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.9
[M+Na]+ 163.10934 136.1
[M-H]- 139.11284 134.4
[M+NH4]+ 158.15394 153.1
[M+K]+ 179.08328 135.4
[M+H-H2O]+ 123.11738 126.5
[M+HCOO]- 185.11832 151.5
[M+CH3COO]- 199.13397 174.5
[M+Na-2H]- 161.09479 135.8
[M]+ 140.11957 127.5
[M]- 140.12067 127.5
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