CID 3021570

89782-10-5

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1CC2=C(C=CC(=C2)C(=O)O)C=C1N3C=CN=C3
InChI
InChI=1S/C14H12N2O2/c17-14(18)12-2-1-11-8-13(4-3-10(11)7-12)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18)
InChIKey
LUUULRLWYJEWOZ-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

240.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 153.3
[M+Na]+ 263.07909 166.8
[M+NH4]+ 258.12369 161.4
[M+K]+ 279.05303 162.1
[M-H]- 239.08259 156.0
[M+Na-2H]- 261.06454 160.4
[M]+ 240.08932 155.9
[M]- 240.09042 155.9
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