CID 51063703

1639350-46-1

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1COCCC1N2C=C(C=N2)N

InChI

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

InChIKey

GZZNBQLBGSVOOZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 378
Patents: 167.10587 Da
Monoisotopic Mass: -0.1
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]+	168.113146	135.1
[M+Na]+	190.095088	141.3
[M-H]-	166.098594	138.8
[M+NH4]+	185.139693	152.5
[M+K]+	206.069028	140.4
[M+H-H2O]+	150.103130	127.0
[M+HCOO]-	212.104071	155.0
[M+CH3COO]-	226.119721	147.5
[M+Na-2H]-	188.080536	140.1
[M]+	167.10532142	130.3
[M]-	167.10641858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe