CID 13036517

6-ethoxy-4,5-dihydro-2h-indazole

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCOC1=CC2=C(CC1)C=NN2
InChI
InChI=1S/C9H12N2O/c1-2-12-8-4-3-7-6-10-11-9(7)5-8/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
FDJPZJCDCKZDAU-UHFFFAOYSA-N
Compound name
6-ethoxy-4,5-dihydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.3
[M+Na]+ 187.084178 142.6
[M-H]- 163.087684 134.7
[M+NH4]+ 182.128783 154.6
[M+K]+ 203.058118 139.7
[M+H-H2O]+ 147.092220 127.4
[M+HCOO]- 209.093161 154.2
[M+CH3COO]- 223.108811 174.9
[M+Na-2H]- 185.069626 140.9
[M]+ 164.09441142 133.3
[M]- 164.09550858 133.3
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