CID 210674

Poli 60

Structural Information

Molecular Formula
C15H15ClN2O2
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)Cl)CC(=O)O
InChI
InChI=1S/C15H15ClN2O2/c16-10-5-7-11(8-6-10)18-14-4-2-1-3-12(14)13(17-18)9-15(19)20/h5-8H,1-4,9H2,(H,19,20)
InChIKey
YVTNFQHZTOHJQS-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0822 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08948 164.4
[M+Na]+ 313.07142 177.9
[M+NH4]+ 308.11602 172.5
[M+K]+ 329.04536 172.5
[M-H]- 289.07492 166.9
[M+Na-2H]- 311.05687 170.1
[M]+ 290.08165 167.2
[M]- 290.08275 167.2
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.