CID 62907564

1344229-83-9

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

C1COCCC1C2=NC(=NN2)N

InChI

InChI=1S/C7H12N4O/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)

InChIKey

FKOYPMDLOFWJSA-UHFFFAOYSA-N

Compound name

5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 168.1011 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]+	169.10838	135.9
[M+Na]+	191.09032	145.9
[M+NH4]+	186.13492	142.9
[M+K]+	207.06426	143.5
[M-H]-	167.09382	138.4
[M+Na-2H]-	189.07577	140.8
[M]+	168.10055	137.6
[M]-	168.10165	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe