CID 75485677

1820642-31-6

Structural Information

Molecular Formula

C₉H₁₅N₃O

SMILES

C1CCOC(C1)N2C(=CC=N2)CN

InChI

InChI=1S/C9H15N3O/c10-7-8-4-5-11-12(8)9-3-1-2-6-13-9/h4-5,9H,1-3,6-7,10H2

InChIKey

JRAVVMHGQVQNIQ-UHFFFAOYSA-N

Compound name

[2-(oxan-2-yl)pyrazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.1215 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]+	182.12878	139.6
[M+Na]+	204.11072	145.4
[M-H]-	180.11422	143.1
[M+NH4]+	199.15532	156.5
[M+K]+	220.08466	144.2
[M+H-H2O]+	164.11876	131.3
[M+HCOO]-	226.11970	159.2
[M+CH3COO]-	240.13535	180.6
[M+Na-2H]-	202.09617	144.1
[M]+	181.12095	135.1
[M]-	181.12205	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe