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
2
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]+ 211.169266 154.2
[M+Na]+ 233.151208 160.9
[M-H]- 209.154714 156.4
[M+NH4]+ 228.195813 182.2
[M+K]+ 249.125148 157.5
[M+H-H2O]+ 193.159250 151.2
[M+HCOO]- 255.160191 172.0
[M+CH3COO]- 269.175841 185.5
[M+Na-2H]- 231.136656 155.0
[M]+ 210.16144142 153.5
[M]- 210.16253858 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.