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

237
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 152.7
[M+Na]+ 245.187578 159.3
[M-H]- 221.191084 155.2
[M+NH4]+ 240.232183 177.3
[M+K]+ 261.161518 156.4
[M+H-H2O]+ 205.195620 148.3
[M+HCOO]- 267.196561 168.0
[M+CH3COO]- 281.212211 193.8
[M+Na-2H]- 243.173026 157.2
[M]+ 222.19781142 150.8
[M]- 222.19890858 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