CID 45089588

2551116-92-6

Structural Information

Molecular Formula
C12H11NO2
SMILES
CNC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C12H11NO2/c1-13-11-5-4-8-6-10(12(14)15)3-2-9(8)7-11/h2-7,13H,1H3,(H,14,15)
InChIKey
WPSQRSXGEYLOJA-UHFFFAOYSA-N
Compound name
6-(methylamino)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.07898 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 140.9
[M+Na]+ 224.068198 149.0
[M-H]- 200.071704 144.6
[M+NH4]+ 219.112803 160.3
[M+K]+ 240.042138 145.6
[M+H-H2O]+ 184.076240 135.0
[M+HCOO]- 246.077181 163.5
[M+CH3COO]- 260.092831 186.5
[M+Na-2H]- 222.053646 148.1
[M]+ 201.07843142 140.4
[M]- 201.07952858 140.4
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