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
2
Annotation Hits

0
References

67
Patents

194.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 147.4
[M+Na]+ 217.11990 154.5
[M-H]- 193.12340 150.0
[M+NH4]+ 212.16450 174.1
[M+K]+ 233.09384 151.6
[M+H-H2O]+ 177.12794 144.1
[M+HCOO]- 239.12888 167.1
[M+CH3COO]- 253.14453 160.2
[M+Na-2H]- 215.10535 148.6
[M]+ 194.13013 147.6
[M]- 194.13123 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