CID 44152601

94134-66-4

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CC2C3CC(C2CC1=O)CC3CC=C
InChI
InChI=1S/C15H22O/c1-3-4-10-6-11-7-12(10)14-5-9(2)15(16)8-13(11)14/h3,9-14H,1,4-8H2,2H3
InChIKey
UCHJHXMSDQOFQM-UHFFFAOYSA-N
Compound name
5-methyl-9-prop-2-enyltricyclo[6.2.1.02,7]undecan-4-one
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 154.6
[M+Na]+ 241.156288 161.5
[M-H]- 217.159794 157.8
[M+NH4]+ 236.200893 179.8
[M+K]+ 257.130228 156.7
[M+H-H2O]+ 201.164330 150.7
[M+HCOO]- 263.165271 171.2
[M+CH3COO]- 277.180921 192.8
[M+Na-2H]- 239.141736 153.7
[M]+ 218.16652142 151.8
[M]- 218.16761858 151.8
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.