CID 45071698

5-butylpyrimidin-2-amine

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CCCCC1=CN=C(N=C1)N

InChI

InChI=1S/C8H13N3/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3,(H2,9,10,11)

InChIKey

PEGFTXKDCHKJCQ-UHFFFAOYSA-N

Compound name

5-butylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.11095 Da
Monoisotopic Mass: 1.7
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]+	152.11823	132.2
[M+Na]+	174.10017	144.7
[M+NH4]+	169.14477	140.3
[M+K]+	190.07411	138.2
[M-H]-	150.10367	134.0
[M+Na-2H]-	172.08562	139.4
[M]+	151.11040	134.4
[M]-	151.11150	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe