CID 105454166

3-cyclopropyl-1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CC1C2=C3C=C(C=CC3=NN2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c14-11(15)7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h3-6H,1-2H2,(H,12,13)(H,14,15)
InChIKey
YIRTUZMXPMVWAY-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2H-indazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

202.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 144.4
[M+Na]+ 225.063448 156.1
[M-H]- 201.066954 148.3
[M+NH4]+ 220.108053 157.7
[M+K]+ 241.037388 150.0
[M+H-H2O]+ 185.071490 137.6
[M+HCOO]- 247.072431 164.8
[M+CH3COO]- 261.088081 156.8
[M+Na-2H]- 223.048896 149.6
[M]+ 202.07368142 146.7
[M]- 202.07477858 146.7
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