CID 22933927

478832-10-9

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

C1CCOC(C1)N2C3=C(C=C(C=C3)N)C=N2

InChI

InChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2

InChIKey

MMBUQRHOEINQHO-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)indazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 217.1215 Da
Monoisotopic Mass: 1.7
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]+	218.12878	147.2
[M+Na]+	240.11072	160.4
[M+NH4]+	235.15532	156.0
[M+K]+	256.08466	155.6
[M-H]-	216.11422	152.5
[M+Na-2H]-	238.09617	154.0
[M]+	217.12095	150.5
[M]-	217.12205	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe