CID 106805

2-ethoxy-1,3,3-trimethylnorbornane

Structural Information

Molecular Formula
C12H22O
SMILES
CCOC1C(C2CCC1(C2)C)(C)C
InChI
InChI=1S/C12H22O/c1-5-13-10-11(2,3)9-6-7-12(10,4)8-9/h9-10H,5-8H2,1-4H3
InChIKey
OGKAJQBGLDYVDV-UHFFFAOYSA-N
Compound name
2-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

216
Patents

182.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 143.8
[M+Na]+ 205.15629 152.3
[M-H]- 181.15979 147.0
[M+NH4]+ 200.20089 173.3
[M+K]+ 221.13023 150.0
[M+H-H2O]+ 165.16433 141.0
[M+HCOO]- 227.16527 164.2
[M+CH3COO]- 241.18092 184.2
[M+Na-2H]- 203.14174 147.7
[M]+ 182.16652 145.3
[M]- 182.16762 145.3
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