CID 44118217

1000576-23-7

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CCOC(C1)N2C3=CC=CC(=C3C=N2)C(=O)O
InChI
InChI=1S/C13H14N2O3/c16-13(17)9-4-3-5-11-10(9)8-14-15(11)12-6-1-2-7-18-12/h3-5,8,12H,1-2,6-7H2,(H,16,17)
InChIKey
SFBZBDJWQOVUGI-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)indazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.10045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.4
[M+Na]+ 269.08967 166.1
[M+NH4]+ 264.13427 160.9
[M+K]+ 285.06361 162.7
[M-H]- 245.09317 156.7
[M+Na-2H]- 267.07512 158.8
[M]+ 246.09990 156.0
[M]- 246.10100 156.0
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