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
2
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]+ 233.18999 150.9
[M+Na]+ 255.17193 160.8
[M+NH4]+ 250.21653 167.6
[M+K]+ 271.14587 153.7
[M-H]- 231.17543 158.5
[M+Na-2H]- 253.15738 156.5
[M]+ 232.18216 156.3
[M]- 232.18326 156.3
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.