CID 118183

Einecs 252-184-9

Structural Information

Molecular Formula
C13H22O2
SMILES
CCOCC1(CC2CC1C3C2CCC3)O
InChI
InChI=1S/C13H22O2/c1-2-15-8-13(14)7-9-6-12(13)11-5-3-4-10(9)11/h9-12,14H,2-8H2,1H3
InChIKey
AZHWRHJDAMOKPR-UHFFFAOYSA-N
Compound name
8-(ethoxymethyl)tricyclo[5.2.1.02,6]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 154.2
[M+Na]+ 233.15121 160.9
[M-H]- 209.15471 156.4
[M+NH4]+ 228.19581 182.2
[M+K]+ 249.12515 157.5
[M+H-H2O]+ 193.15925 151.2
[M+HCOO]- 255.16019 172.0
[M+CH3COO]- 269.17584 185.5
[M+Na-2H]- 231.13666 155.0
[M]+ 210.16144 153.5
[M]- 210.16254 153.5
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.