CID 42609130

1082745-49-0

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

C1COCCC1N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C9H12N4O/c10-5-7-6-12-13(9(7)11)8-1-3-14-4-2-8/h6,8H,1-4,11H2

InChIKey

UMPNYNSSLRKJHT-UHFFFAOYSA-N

Compound name

5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 192.1011 Da
Monoisotopic Mass: 0.5
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]+	193.10838	146.2
[M+Na]+	215.09032	156.3
[M+NH4]+	210.13492	150.2
[M+K]+	231.06426	149.7
[M-H]-	191.09382	142.2
[M+Na-2H]-	213.07577	148.4
[M]+	192.10055	145.4
[M]-	192.10165	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe