CID 121595472

6-methoxy-1h,4h,5h-benzo[g]indazole-3-carboxylic acid

Structural Information

Molecular Formula
C13H12N2O3
SMILES
COC1=CC=CC2=C1CCC3=C(NN=C32)C(=O)O
InChI
InChI=1S/C13H12N2O3/c1-18-10-4-2-3-8-7(10)5-6-9-11(8)14-15-12(9)13(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKey
AMLQUCCRQHMLGS-UHFFFAOYSA-N
Compound name
6-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.092076 152.8
[M+Na]+ 267.074018 161.8
[M-H]- 243.077524 153.4
[M+NH4]+ 262.118623 170.2
[M+K]+ 283.047958 157.4
[M+H-H2O]+ 227.082060 146.0
[M+HCOO]- 289.083001 169.2
[M+CH3COO]- 303.098651 164.2
[M+Na-2H]- 265.059466 157.3
[M]+ 244.08425142 152.6
[M]- 244.08534858 152.6
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.