CID 63937838

1-(oxan-4-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1COCCC1N2C=CC(=N2)N

InChI

InChI=1S/C8H13N3O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10)

InChIKey

SINGMNYTTDSEPO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 167.10587 Da
Monoisotopic Mass: 0.2
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	135.1
[M+Na]+	190.09509	141.3
[M-H]-	166.09859	138.8
[M+NH4]+	185.13969	152.5
[M+K]+	206.06903	140.4
[M+H-H2O]+	150.10313	127.0
[M+HCOO]-	212.10407	155.0
[M+CH3COO]-	226.11972	147.5
[M+Na-2H]-	188.08054	140.1
[M]+	167.10532	130.3
[M]-	167.10642	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe