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

39
Patents

240.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.6
[M+Na]+ 263.079088 160.8
[M-H]- 239.082594 156.5
[M+NH4]+ 258.123693 169.3
[M+K]+ 279.053028 156.4
[M+H-H2O]+ 223.087130 144.5
[M+HCOO]- 285.088071 171.7
[M+CH3COO]- 299.103721 164.5
[M+Na-2H]- 261.064536 157.0
[M]+ 240.08932142 151.3
[M]- 240.09041858 151.3
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

patents stripe