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 165.4
[M+Na]+ 313.07142 173.7
[M-H]- 289.07492 168.8
[M+NH4]+ 308.11602 181.1
[M+K]+ 329.04536 167.6
[M+H-H2O]+ 273.07946 157.5
[M+HCOO]- 335.08040 177.9
[M+CH3COO]- 349.09605 176.0
[M+Na-2H]- 311.05687 166.9
[M]+ 290.08165 165.4
[M]- 290.08275 165.4
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