CID 3077882

Brn 4327618

Structural Information

Molecular Formula
C15H15N2O2
SMILES
C[N+]1=CN(C=C1)C2=CC3=C(CC2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C15H14N2O2/c1-16-6-7-17(10-16)14-5-4-11-2-3-12(15(18)19)8-13(11)9-14/h2-3,6-10H,4-5H2,1H3/p+1
InChIKey
FIUMWXFRWLIFLD-UHFFFAOYSA-O
Compound name
7-(3-methylimidazol-3-ium-1-yl)-5,6-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12064 155.7
[M+Na]+ 278.10258 171.5
[M+NH4]+ 273.14718 164.8
[M+K]+ 294.07652 167.3
[M-H]- 254.10608 160.2
[M+Na-2H]- 276.08803 163.4
[M]+ 255.11281 159.5
[M]- 255.11391 159.5
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

No patent data available for this compound.