CID 2756734

111853-51-1

Structural Information

Molecular Formula

C₆H₁₂N₄O₂

SMILES

COCC1=NN=C(N1N)COC

InChI

InChI=1S/C6H12N4O2/c1-11-3-5-8-9-6(4-12-2)10(5)7/h3-4,7H2,1-2H3

InChIKey

QMTIGFLCQANSAT-UHFFFAOYSA-N

Compound name

3,5-bis(methoxymethyl)-1,2,4-triazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.09602 Da
Monoisotopic Mass: -1.4
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]+	173.10330	134.9
[M+Na]+	195.08524	144.4
[M-H]-	171.08874	134.6
[M+NH4]+	190.12984	152.9
[M+K]+	211.05918	143.7
[M+H-H2O]+	155.09328	127.0
[M+HCOO]-	217.09422	158.1
[M+CH3COO]-	231.10987	181.2
[M+Na-2H]-	193.07069	140.1
[M]+	172.09547	137.8
[M]-	172.09657	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe