CID 3021568

89781-89-5

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1CC(=CC2=C1C=CC(=C2)CO)N3C=CN=C3
InChI
InChI=1S/C14H14N2O/c17-9-11-1-2-12-3-4-14(8-13(12)7-11)16-6-5-15-10-16/h1-2,5-8,10,17H,3-4,9H2
InChIKey
WRMDZKWCUFEOTK-UHFFFAOYSA-N
Compound name
(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

226.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 151.1
[M+Na]+ 249.09983 165.5
[M+NH4]+ 244.14443 160.2
[M+K]+ 265.07377 159.4
[M-H]- 225.10333 154.7
[M+Na-2H]- 247.08528 159.0
[M]+ 226.11006 154.2
[M]- 226.11116 154.2
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