CID 6466029

Rhodblock 6

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

C1CC(C1)C(=O)NC2=CC3=C(C=C2)NN=C3

InChI

InChI=1S/C12H13N3O/c16-12(8-2-1-3-8)14-10-4-5-11-9(6-10)7-13-15-11/h4-8H,1-3H2,(H,13,15)(H,14,16)

InChIKey

GXJXOQKXBIPBKB-UHFFFAOYSA-N

Compound name

N-(1H-indazol-5-yl)cyclobutanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 10
Patents: 215.10587 Da
Monoisotopic Mass: 2.4
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]+	216.11315	145.4
[M+Na]+	238.09509	152.6
[M+NH4]+	233.13969	149.3
[M+K]+	254.06903	150.3
[M-H]-	214.09859	145.0
[M+Na-2H]-	236.08054	149.5
[M]+	215.10532	144.9
[M]-	215.10642	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe