CID 100940

Einecs 261-581-6

Structural Information

Molecular Formula
C16H24O
SMILES
CC1(CCC(C23C14C2CC(C4)C3(C)C)C=O)C
InChI
InChI=1S/C16H24O/c1-13(2)6-5-10(9-17)16-12-7-11(14(16,3)4)8-15(12,13)16/h9-12H,5-8H2,1-4H3
InChIKey
DHERDKJNYUNHCB-UHFFFAOYSA-N
Compound name
5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undecane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 150.5
[M+Na]+ 255.171928 161.2
[M-H]- 231.175434 155.3
[M+NH4]+ 250.216533 180.0
[M+K]+ 271.145868 156.1
[M+H-H2O]+ 215.179970 148.2
[M+HCOO]- 277.180911 162.9
[M+CH3COO]- 291.196561 163.1
[M+Na-2H]- 253.157376 155.5
[M]+ 232.18216142 158.3
[M]- 232.18325858 158.3
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

No patent data available for this compound.