CID 115993

Brn 0223646

Structural Information

Molecular Formula

C₁₀H₁₉N₅O₂

SMILES

CCCCOC1=NC(=NC(=N1)NC(C)(C)O)N

InChI

InChI=1S/C10H19N5O2/c1-4-5-6-17-9-13-7(11)12-8(14-9)15-10(2,3)16/h16H,4-6H2,1-3H3,(H3,11,12,13,14,15)

InChIKey

VCCAIFCMUAYXMN-UHFFFAOYSA-N

Compound name

2-[(4-amino-6-butoxy-1,3,5-triazin-2-yl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.15387 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]+	242.161146	158.1
[M+Na]+	264.143088	165.1
[M-H]-	240.146594	156.2
[M+NH4]+	259.187693	170.5
[M+K]+	280.117028	162.5
[M+H-H2O]+	224.151130	149.8
[M+HCOO]-	286.152071	177.1
[M+CH3COO]-	300.167721	196.3
[M+Na-2H]-	262.128536	164.4
[M]+	241.15332142	158.5
[M]-	241.15441858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.