CID 73556509

Dtxsid90988262

Structural Information

Molecular Formula
C12H16O2
SMILES
C1C=C(C2C1C3CC2C=C3)OCCO
InChI
InChI=1S/C12H16O2/c13-5-6-14-11-4-3-10-8-1-2-9(7-8)12(10)11/h1-2,4,8-10,12-13H,3,5-7H2
InChIKey
CUMUGOZGSJIGQL-UHFFFAOYSA-N
Compound name
2-(3-tricyclo[5.2.1.02,6]deca-3,8-dienyloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 145.5
[M+Na]+ 215.104258 153.7
[M-H]- 191.107764 148.6
[M+NH4]+ 210.148863 172.5
[M+K]+ 231.078198 150.7
[M+H-H2O]+ 175.112300 142.3
[M+HCOO]- 237.113241 166.8
[M+CH3COO]- 251.128891 159.0
[M+Na-2H]- 213.089706 147.7
[M]+ 192.11449142 147.3
[M]- 192.11558858 147.3
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

No patent data available for this compound.