CID 177546106

Oh-atz

Structural Information

Molecular Formula

C₈H₁₄ClN₅O

SMILES

CC(C)NC1=NC(=NC(=N1)Cl)NC(C)O

InChI

InChI=1S/C8H14ClN5O/c1-4(2)10-7-12-6(9)13-8(14-7)11-5(3)15/h4-5,15H,1-3H3,(H2,10,11,12,13,14)

InChIKey

VZJPBDBLNOPVNN-UHFFFAOYSA-N

Compound name

1-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 231.08868 Da
Monoisotopic Mass: 2.0
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]+	232.095956	150.4
[M+Na]+	254.077898	158.1
[M-H]-	230.081404	149.0
[M+NH4]+	249.122503	164.2
[M+K]+	270.051838	154.7
[M+H-H2O]+	214.085940	142.8
[M+HCOO]-	276.086881	165.6
[M+CH3COO]-	290.102531	193.8
[M+Na-2H]-	252.063346	155.2
[M]+	231.08813142	151.0
[M]-	231.08922858	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.