CID 21687720

3,3,5,5-tetramethylcyclohexane-1-carbaldehyde

Structural Information

Molecular Formula
C11H20O
SMILES
CC1(CC(CC(C1)(C)C)C=O)C
InChI
InChI=1S/C11H20O/c1-10(2)5-9(7-12)6-11(3,4)8-10/h7,9H,5-6,8H2,1-4H3
InChIKey
UAIYASHVTDSBQG-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 135.4
[M+Na]+ 191.140628 143.0
[M-H]- 167.144134 139.3
[M+NH4]+ 186.185233 160.5
[M+K]+ 207.114568 141.9
[M+H-H2O]+ 151.148670 132.0
[M+HCOO]- 213.149611 155.5
[M+CH3COO]- 227.165261 181.3
[M+Na-2H]- 189.126076 140.9
[M]+ 168.15086142 134.0
[M]- 168.15195858 134.0
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