CID 54595847

1000896-69-4

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1COCCC1C2=CC(=NN2)N

InChI

InChI=1S/C8H13N3O/c9-8-5-7(10-11-8)6-1-3-12-4-2-6/h5-6H,1-4H2,(H3,9,10,11)

InChIKey

AQPGNHFZFXIMJB-UHFFFAOYSA-N

Compound name

5-(oxan-4-yl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 167.10587 Da
Monoisotopic Mass: 0.3
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]+	168.11315	135.6
[M+Na]+	190.09509	141.4
[M-H]-	166.09859	137.9
[M+NH4]+	185.13969	152.3
[M+K]+	206.06903	139.6
[M+H-H2O]+	150.10313	127.8
[M+HCOO]-	212.10407	154.0
[M+CH3COO]-	226.11972	147.3
[M+Na-2H]-	188.08054	140.2
[M]+	167.10532	129.0
[M]-	167.10642	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe