CID 21650586

2-(4-tert-butylcyclohexyl)acetaldehyde

Structural Information

Molecular Formula
C12H22O
SMILES
CC(C)(C)C1CCC(CC1)CC=O
InChI
InChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h9-11H,4-8H2,1-3H3
InChIKey
HIIVFCPSWQQHEF-UHFFFAOYSA-N
Compound name
2-(4-tert-butylcyclohexyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

182.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 144.2
[M+Na]+ 205.15629 149.0
[M-H]- 181.15979 146.9
[M+NH4]+ 200.20089 164.4
[M+K]+ 221.13023 147.5
[M+H-H2O]+ 165.16433 139.1
[M+HCOO]- 227.16527 162.3
[M+CH3COO]- 241.18092 183.5
[M+Na-2H]- 203.14174 147.9
[M]+ 182.16652 141.5
[M]- 182.16762 141.5
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