CID 145874844

2113470-18-9

Structural Information

Molecular Formula
C15H16N2O2
SMILES
COC(=O)C1CCC2=C(C1)N(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O2/c1-19-15(18)11-7-8-12-10-16-17(14(12)9-11)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3
InChIKey
HGEQBNMSCMNYLS-UHFFFAOYSA-N
Compound name
methyl 1-phenyl-4,5,6,7-tetrahydroindazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.7
[M+Na]+ 279.11042 165.8
[M-H]- 255.11392 163.3
[M+NH4]+ 274.15502 175.4
[M+K]+ 295.08436 162.2
[M+H-H2O]+ 239.11846 149.9
[M+HCOO]- 301.11940 177.4
[M+CH3COO]- 315.13505 170.1
[M+Na-2H]- 277.09587 161.8
[M]+ 256.12065 157.9
[M]- 256.12175 157.9
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.