CID 61147250

2-(propylthio)pyrimidin-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃S

SMILES

CCCSC1=NC=C(C=N1)N

InChI

InChI=1S/C7H11N3S/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3,8H2,1H3

InChIKey

ACJZBBWWVVZKBR-UHFFFAOYSA-N

Compound name

2-propylsulfanylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 169.06737 Da
Monoisotopic Mass: 1.3
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]+	170.07465	134.1
[M+Na]+	192.05659	146.2
[M+NH4]+	187.10119	142.6
[M+K]+	208.03053	137.9
[M-H]-	168.06009	136.2
[M+Na-2H]-	190.04204	140.5
[M]+	169.06682	136.8
[M]-	169.06792	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe