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 150.5
[M+Na]+ 255.17193 161.2
[M-H]- 231.17543 155.3
[M+NH4]+ 250.21653 180.0
[M+K]+ 271.14587 156.1
[M+H-H2O]+ 215.17997 148.2
[M+HCOO]- 277.18091 162.9
[M+CH3COO]- 291.19656 163.1
[M+Na-2H]- 253.15738 155.5
[M]+ 232.18216 158.3
[M]- 232.18326 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.