CID 44154216

Einecs 277-731-9

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CC2CC(C1CC2C(C)C)C(=O)C
InChI
InChI=1S/C14H22O/c1-8(2)12-7-13-9(3)5-11(12)6-14(13)10(4)15/h5,8,11-14H,6-7H2,1-4H3
InChIKey
MUKZVYSKXMCCLW-UHFFFAOYSA-N
Compound name
1-(6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 152.3
[M+Na]+ 229.156288 156.5
[M-H]- 205.159794 149.2
[M+NH4]+ 224.200893 176.1
[M+K]+ 245.130228 154.2
[M+H-H2O]+ 189.164330 148.2
[M+HCOO]- 251.165271 162.2
[M+CH3COO]- 265.180921 197.4
[M+Na-2H]- 227.141736 157.9
[M]+ 206.16652142 154.4
[M]- 206.16761858 154.4
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.