CID 53423319

Einecs 283-026-7

Structural Information

Molecular Formula
C17H32O2
SMILES
CCOC(C1CC2CC(C1CC2C)C(C)C)OCC
InChI
InChI=1S/C17H32O2/c1-6-18-17(19-7-2)16-10-13-9-14(11(3)4)15(16)8-12(13)5/h11-17H,6-10H2,1-5H3
InChIKey
RUXYPQUTFBZPFQ-UHFFFAOYSA-N
Compound name
2-(diethoxymethyl)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.24023 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 172.7
[M+Na]+ 291.229448 174.2
[M-H]- 267.232954 168.3
[M+NH4]+ 286.274053 193.9
[M+K]+ 307.203388 172.5
[M+H-H2O]+ 251.237490 167.8
[M+HCOO]- 313.238431 180.0
[M+CH3COO]- 327.254081 209.3
[M+Na-2H]- 289.214896 175.7
[M]+ 268.23968142 176.5
[M]- 268.24077858 176.5
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.