CID 3064158

Wp171

Structural Information

Molecular Formula

C₈H₁₇N₄O₃P

SMILES

CCCOP(=O)(N1C(=NC=N1)N)OCCC

InChI

InChI=1S/C8H17N4O3P/c1-3-5-14-16(13,15-6-4-2)12-8(9)10-7-11-12/h7H,3-6H2,1-2H3,(H2,9,10,11)

InChIKey

NDQGNOTXKROINU-UHFFFAOYSA-N

Compound name

2-dipropoxyphosphoryl-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.10382 Da
Monoisotopic Mass: 1.5
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]+	249.11110	156.2
[M+Na]+	271.09304	163.2
[M-H]-	247.09654	154.2
[M+NH4]+	266.13764	171.1
[M+K]+	287.06698	162.7
[M+H-H2O]+	231.10108	145.6
[M+HCOO]-	293.10202	182.3
[M+CH3COO]-	307.11767	194.6
[M+Na-2H]-	269.07849	158.2
[M]+	248.10327	160.5
[M]-	248.10437	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe