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 159.7
[M+Na]+ 278.10258 168.0
[M-H]- 254.10608 164.1
[M+NH4]+ 273.14718 175.7
[M+K]+ 294.07652 157.9
[M+H-H2O]+ 238.11062 154.2
[M+HCOO]- 300.11156 177.9
[M+CH3COO]- 314.12721 186.3
[M+Na-2H]- 276.08803 165.2
[M]+ 255.11281 157.8
[M]- 255.11391 157.8
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.