CID 19800556

129488-10-4

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3

InChIKey

LRSDPIIWOZRHNJ-UHFFFAOYSA-N

Compound name

tert-butyl 5-aminoindazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 306
Patents: 233.11642 Da
Monoisotopic Mass: 2.2
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]+	234.12370	153.3
[M+Na]+	256.10564	163.3
[M-H]-	232.10914	155.9
[M+NH4]+	251.15024	171.6
[M+K]+	272.07958	160.7
[M+H-H2O]+	216.11368	146.5
[M+HCOO]-	278.11462	174.9
[M+CH3COO]-	292.13027	191.8
[M+Na-2H]-	254.09109	159.2
[M]+	233.11587	156.2
[M]-	233.11697	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe