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

1
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.2
[M+Na]+ 191.14063 144.6
[M-H]- 167.14413 142.8
[M+NH4]+ 186.18523 160.7
[M+K]+ 207.11457 143.4
[M+H-H2O]+ 151.14867 134.7
[M+HCOO]- 213.14961 159.2
[M+CH3COO]- 227.16526 181.6
[M+Na-2H]- 189.12608 142.5
[M]+ 168.15086 137.0
[M]- 168.15196 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