CID 12311375

3,3,7-trimethyltetracyclo[5.4.0.02,9.08,10]undecane-8-carbaldehyde

Structural Information

Molecular Formula
C15H22O
SMILES
CC1(CCCC2(C3C1C4C2(C4C3)C=O)C)C
InChI
InChI=1S/C15H22O/c1-13(2)5-4-6-14(3)9-7-10-12(11(9)13)15(10,14)8-16/h8-12H,4-7H2,1-3H3
InChIKey
GKLINOVEKWMKRM-UHFFFAOYSA-N
Compound name
3,3,7-trimethyltetracyclo[5.4.0.02,9.08,10]undecane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 148.7
[M+Na]+ 241.156288 158.2
[M-H]- 217.159794 154.7
[M+NH4]+ 236.200893 175.3
[M+K]+ 257.130228 151.6
[M+H-H2O]+ 201.164330 146.6
[M+HCOO]- 263.165271 161.9
[M+CH3COO]- 277.180921 160.8
[M+Na-2H]- 239.141736 152.8
[M]+ 218.16652142 153.2
[M]- 218.16761858 153.2
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.