CID 565584

79645-28-6

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CCCC2(C3C1C(C2C=O)CC3)C)C
InChI
InChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3
InChIKey
PBMHTGOFWRRJFS-UHFFFAOYSA-N
Compound name
3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.6
[M+Na]+ 243.171928 159.8
[M-H]- 219.175434 158.8
[M+NH4]+ 238.216533 180.2
[M+K]+ 259.145868 156.5
[M+H-H2O]+ 203.179970 150.1
[M+HCOO]- 265.180911 170.1
[M+CH3COO]- 279.196561 165.4
[M+Na-2H]- 241.157376 154.9
[M]+ 220.18216142 149.5
[M]- 220.18325858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe