CID 63937128

2097980-52-2

Structural Information

Molecular Formula

C₈H₁₄N₄O

SMILES

C1COCCC1N2C=C(N=N2)CN

InChI

InChI=1S/C8H14N4O/c9-5-7-6-12(11-10-7)8-1-3-13-4-2-8/h6,8H,1-5,9H2

InChIKey

NPNNXLZXOYJJIV-UHFFFAOYSA-N

Compound name

[1-(oxan-4-yl)triazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.11676 Da
Monoisotopic Mass: -1.1
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]+	183.12404	140.0
[M+Na]+	205.10598	150.3
[M+NH4]+	200.15058	147.2
[M+K]+	221.07992	147.4
[M-H]-	181.10948	143.0
[M+Na-2H]-	203.09143	145.2
[M]+	182.11621	141.9
[M]-	182.11731	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.