CID 316627

2-cyclohexylacetaldehyde

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(CC1)CC=O
InChI
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKey
JJMDTERTPNYIGZ-UHFFFAOYSA-N
Compound name
2-cyclohexylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6645
Patents

126.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 126.9
[M+Na]+ 149.09368 131.9
[M-H]- 125.09718 129.6
[M+NH4]+ 144.13828 148.8
[M+K]+ 165.06762 131.0
[M+H-H2O]+ 109.10172 121.6
[M+HCOO]- 171.10266 147.9
[M+CH3COO]- 185.11831 170.6
[M+Na-2H]- 147.07913 132.7
[M]+ 126.10391 122.9
[M]- 126.10501 122.9
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