CID 44118232

1053655-57-4

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

C1CCOC(C1)N2C3=CC=CC(=C3C=N2)N

InChI

InChI=1S/C12H15N3O/c13-10-4-3-5-11-9(10)8-14-15(11)12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,13H2

InChIKey

VXUKYBXQNXUXQM-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)indazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	146.4
[M+Na]+	240.11072	154.4
[M-H]-	216.11422	151.5
[M+NH4]+	235.15532	163.1
[M+K]+	256.08466	151.4
[M+H-H2O]+	200.11876	138.0
[M+HCOO]-	262.11970	166.3
[M+CH3COO]-	276.13535	158.7
[M+Na-2H]-	238.09617	152.4
[M]+	217.12095	143.7
[M]-	217.12205	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe