CID 86626967

771556-85-5

Structural Information

Molecular Formula

C₇H₁₀ClN₃O

SMILES

CN(CCO)C1=NC=CC(=N1)Cl

InChI

InChI=1S/C7H10ClN3O/c1-11(4-5-12)7-9-3-2-6(8)10-7/h2-3,12H,4-5H2,1H3

InChIKey

CQIWUUIQVDIFNS-UHFFFAOYSA-N

Compound name

2-[(4-chloropyrimidin-2-yl)-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.05124 Da
Monoisotopic Mass: 0.9
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]+	188.058516	136.5
[M+Na]+	210.040458	145.2
[M-H]-	186.043964	137.4
[M+NH4]+	205.085063	154.2
[M+K]+	226.014398	142.5
[M+H-H2O]+	170.048500	129.6
[M+HCOO]-	232.049441	154.7
[M+CH3COO]-	246.065091	183.3
[M+Na-2H]-	208.025906	143.8
[M]+	187.05069142	138.9
[M]-	187.05178858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe