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 150.2
[M+Na]+ 249.09983 158.6
[M-H]- 225.10333 153.9
[M+NH4]+ 244.14443 167.8
[M+K]+ 265.07377 153.6
[M+H-H2O]+ 209.10787 142.0
[M+HCOO]- 271.10881 169.9
[M+CH3COO]- 285.12446 162.3
[M+Na-2H]- 247.08528 155.7
[M]+ 226.11006 148.8
[M]- 226.11116 148.8
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