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
3
Annotation Hits

0
References

217
Patents

182.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.8
[M+Na]+ 205.156288 152.3
[M-H]- 181.159794 147.0
[M+NH4]+ 200.200893 173.3
[M+K]+ 221.130228 150.0
[M+H-H2O]+ 165.164330 141.0
[M+HCOO]- 227.165271 164.2
[M+CH3COO]- 241.180921 184.2
[M+Na-2H]- 203.141736 147.7
[M]+ 182.16652142 145.3
[M]- 182.16761858 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