CID 110615

Dicyclopentenyloxyethanol

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC(C2C1C3CC2C=C3)OCCO
InChI
InChI=1S/C12H18O2/c13-5-6-14-11-4-3-10-8-1-2-9(7-8)12(10)11/h1-2,8-13H,3-7H2
InChIKey
KGJMFJPRTDUZAQ-UHFFFAOYSA-N
Compound name
2-(3-tricyclo[5.2.1.02,6]dec-8-enyloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

75
Patents

194.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 147.4
[M+Na]+ 217.119898 154.5
[M-H]- 193.123404 150.0
[M+NH4]+ 212.164503 174.1
[M+K]+ 233.093838 151.6
[M+H-H2O]+ 177.127940 144.1
[M+HCOO]- 239.128881 167.1
[M+CH3COO]- 253.144531 160.2
[M+Na-2H]- 215.105346 148.6
[M]+ 194.13013142 147.6
[M]- 194.13122858 147.6
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