CID 175577

Cyclohexaneacetaldehyde, 4-(1-methylethyl)-

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)C1CCC(CC1)CC=O
InChI
InChI=1S/C11H20O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h8-11H,3-7H2,1-2H3
InChIKey
DTUMUCFHNCPJHZ-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylcyclohexyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 140.2
[M+Na]+ 191.140628 144.6
[M-H]- 167.144134 142.8
[M+NH4]+ 186.185233 160.7
[M+K]+ 207.114568 143.4
[M+H-H2O]+ 151.148670 134.7
[M+HCOO]- 213.149611 159.2
[M+CH3COO]- 227.165261 181.6
[M+Na-2H]- 189.126076 142.5
[M]+ 168.15086142 137.0
[M]- 168.15195858 137.0
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