CID 215747

36174-07-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC(=O)N1C2=C(C=C(C=C2)OC(=O)C)C=N1

InChI

InChI=1S/C11H10N2O3/c1-7(14)13-11-4-3-10(16-8(2)15)5-9(11)6-12-13/h3-6H,1-2H3

InChIKey

STKYXVXUUPIMSU-UHFFFAOYSA-N

Compound name

(1-acetylindazol-5-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 218.06914 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.076416	144.7
[M+Na]+	241.058358	155.4
[M-H]-	217.061864	147.7
[M+NH4]+	236.102963	163.7
[M+K]+	257.032298	153.4
[M+H-H2O]+	201.066400	137.7
[M+HCOO]-	263.067341	167.1
[M+CH3COO]-	277.082991	186.9
[M+Na-2H]-	239.043806	149.7
[M]+	218.06859142	149.6
[M]-	218.06968858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe