CID 44153729

Einecs 305-177-0

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CC2CC(C1CC2C(C)C)C(C)OC
InChI
InChI=1S/C15H26O/c1-9(2)13-8-14-10(3)6-12(13)7-15(14)11(4)16-5/h6,9,11-15H,7-8H2,1-5H3
InChIKey
IIXMILIFHJWPEN-UHFFFAOYSA-N
Compound name
7-(1-methoxyethyl)-2-methyl-5-propan-2-ylbicyclo[2.2.2]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 159.0
[M+Na]+ 245.187578 162.5
[M-H]- 221.191084 155.6
[M+NH4]+ 240.232183 182.2
[M+K]+ 261.161518 160.5
[M+H-H2O]+ 205.195620 154.6
[M+HCOO]- 267.196561 168.3
[M+CH3COO]- 281.212211 201.1
[M+Na-2H]- 243.173026 163.9
[M]+ 222.19781142 162.1
[M]- 222.19890858 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.