CID 84108526

3-cyclohexyl-2,2-dimethylpropanal

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)(CC1CCCCC1)C=O
InChI
InChI=1S/C11H20O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey
UOYUCWZNORZNDD-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

168.15141 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.3
[M+Na]+ 191.14063 144.5
[M-H]- 167.14413 142.7
[M+NH4]+ 186.18523 160.7
[M+K]+ 207.11457 143.2
[M+H-H2O]+ 151.14867 135.1
[M+HCOO]- 213.14961 158.7
[M+CH3COO]- 227.16526 180.0
[M+Na-2H]- 189.12608 145.1
[M]+ 168.15086 136.9
[M]- 168.15196 136.9
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