CID 225433

98432-26-9

Structural Information

Molecular Formula

C₇H₁₁N₃OS

SMILES

CCSC1=NC=C(C(=N1)N)CO

InChI

InChI=1S/C7H11N3OS/c1-2-12-7-9-3-5(4-11)6(8)10-7/h3,11H,2,4H2,1H3,(H2,8,9,10)

InChIKey

AKLCDMLJYNYRJK-UHFFFAOYSA-N

Compound name

(4-amino-2-ethylsulfanylpyrimidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 12
Patents: 185.06229 Da
Monoisotopic Mass: 0.7
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]+	186.06957	138.0
[M+Na]+	208.05151	149.4
[M+NH4]+	203.09611	145.6
[M+K]+	224.02545	142.2
[M-H]-	184.05501	139.1
[M+Na-2H]-	206.03696	143.1
[M]+	185.06174	140.2
[M]-	185.06284	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe