CID 53249758

84540-23-8

Structural Information

Molecular Formula
C15H28O
SMILES
CCOCC1CC2CC(C1CC2C)C(C)C
InChI
InChI=1S/C15H28O/c1-5-16-9-13-7-12-8-14(10(2)3)15(13)6-11(12)4/h10-15H,5-9H2,1-4H3
InChIKey
NGUXECYSEAJIMC-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 159.8
[M+Na]+ 247.20324 162.6
[M-H]- 223.20674 156.0
[M+NH4]+ 242.24784 182.9
[M+K]+ 263.17718 160.3
[M+H-H2O]+ 207.21128 155.2
[M+HCOO]- 269.21222 168.7
[M+CH3COO]- 283.22787 200.6
[M+Na-2H]- 245.18869 164.9
[M]+ 224.21347 162.1
[M]- 224.21457 162.1
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.