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

30
Patents

182.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 144.2
[M+Na]+ 205.156288 149.0
[M-H]- 181.159794 146.9
[M+NH4]+ 200.200893 164.4
[M+K]+ 221.130228 147.5
[M+H-H2O]+ 165.164330 139.1
[M+HCOO]- 227.165271 162.3
[M+CH3COO]- 241.180921 183.5
[M+Na-2H]- 203.141736 147.9
[M]+ 182.16652142 141.5
[M]- 182.16761858 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