CID 62140546

Ethyl 2-(1h-indazol-1-yl)acetate

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCOC(=O)CN1C2=CC=CC=C2C=N1
InChI
InChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12-13/h3-7H,2,8H2,1H3
InChIKey
CWBPDAREDFJTOB-UHFFFAOYSA-N
Compound name
ethyl 2-indazol-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.9
[M+Na]+ 227.07909 152.8
[M-H]- 203.08259 145.3
[M+NH4]+ 222.12369 162.4
[M+K]+ 243.05303 150.3
[M+H-H2O]+ 187.08713 135.5
[M+HCOO]- 249.08807 166.0
[M+CH3COO]- 263.10372 184.3
[M+Na-2H]- 225.06454 149.7
[M]+ 204.08932 147.4
[M]- 204.09042 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe