CID 3021562

2-naphthalenol, 5,6-dihydro-7-(1h-imidazol-1-yl)-

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1CC(=CC2=C1C=CC(=C2)O)N3C=CN=C3
InChI
InChI=1S/C13H12N2O/c16-13-4-2-10-1-3-12(7-11(10)8-13)15-6-5-14-9-15/h2,4-9,16H,1,3H2
InChIKey
SDDDOAYMFJZBCK-UHFFFAOYSA-N
Compound name
7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.6
[M+Na]+ 235.08418 154.5
[M-H]- 211.08768 149.5
[M+NH4]+ 230.12878 163.8
[M+K]+ 251.05812 149.7
[M+H-H2O]+ 195.09222 137.6
[M+HCOO]- 257.09316 165.7
[M+CH3COO]- 271.10881 158.1
[M+Na-2H]- 233.06963 151.6
[M]+ 212.09441 143.9
[M]- 212.09551 143.9
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