CID 25248678

1431963-89-1

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1COCC1CN2C=C(C=N2)N

InChI

InChI=1S/C8H13N3O/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h3,5,7H,1-2,4,6,9H2

InChIKey

PZKAJXOKSGTLNG-UHFFFAOYSA-N

Compound name

1-(oxolan-3-ylmethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	134.5
[M+Na]+	190.09509	141.4
[M-H]-	166.09859	138.6
[M+NH4]+	185.13969	153.8
[M+K]+	206.06903	140.9
[M+H-H2O]+	150.10313	126.9
[M+HCOO]-	212.10407	156.6
[M+CH3COO]-	226.11972	147.6
[M+Na-2H]-	188.08054	138.0
[M]+	167.10532	131.9
[M]-	167.10642	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe