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 135.4
[M+Na]+ 191.14063 143.0
[M-H]- 167.14413 139.3
[M+NH4]+ 186.18523 160.5
[M+K]+ 207.11457 141.9
[M+H-H2O]+ 151.14867 132.0
[M+HCOO]- 213.14961 155.5
[M+CH3COO]- 227.16526 181.3
[M+Na-2H]- 189.12608 140.9
[M]+ 168.15086 134.0
[M]- 168.15196 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