CID 3021559

89781-66-8

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1CC2=C(C=CC=C2C(=O)O)C=C1N3C=CN=C3
InChI
InChI=1S/C14H12N2O2/c17-14(18)13-3-1-2-10-8-11(4-5-12(10)13)16-7-6-15-9-16/h1-3,6-9H,4-5H2,(H,17,18)
InChIKey
APPBPUKXEANXCJ-UHFFFAOYSA-N
Compound name
6-imidazol-1-yl-7,8-dihydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 152.6
[M+Na]+ 263.07909 160.8
[M-H]- 239.08259 156.5
[M+NH4]+ 258.12369 169.3
[M+K]+ 279.05303 156.4
[M+H-H2O]+ 223.08713 144.5
[M+HCOO]- 285.08807 171.7
[M+CH3COO]- 299.10372 164.5
[M+Na-2H]- 261.06454 157.0
[M]+ 240.08932 151.3
[M]- 240.09042 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