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

4
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 139.0
[M+Na]+ 191.14063 150.5
[M+NH4]+ 186.18523 150.9
[M+K]+ 207.11457 140.1
[M-H]- 167.14413 141.3
[M+Na-2H]- 189.12608 146.8
[M]+ 168.15086 141.6
[M]- 168.15196 141.6
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