CID 111376

68845-00-1

Structural Information

Molecular Formula
C15H26O
SMILES
CCOC1(CCC2C(=C)C1CCC2(C)C)C
InChI
InChI=1S/C15H26O/c1-6-16-15(5)10-8-12-11(2)13(15)7-9-14(12,3)4/h12-13H,2,6-10H2,1,3-5H3
InChIKey
LUNAXRIJWWBQTE-UHFFFAOYSA-N
Compound name
2-ethoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

241
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.7
[M+Na]+ 245.18758 159.3
[M-H]- 221.19108 155.2
[M+NH4]+ 240.23218 177.3
[M+K]+ 261.16152 156.4
[M+H-H2O]+ 205.19562 148.3
[M+HCOO]- 267.19656 168.0
[M+CH3COO]- 281.21221 193.8
[M+Na-2H]- 243.17303 157.2
[M]+ 222.19781 150.8
[M]- 222.19891 150.8
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

patents stripe