CID 3041747

58443-14-4

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CCCCOC1=NC=C(C=N1)N

InChI

InChI=1S/C8H13N3O/c1-2-3-4-12-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3

InChIKey

ZCYLUQUNKIIGEI-UHFFFAOYSA-N

Compound name

2-butoxypyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 167.10587 Da
Monoisotopic Mass: 1.1
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]+	168.113146	135.8
[M+Na]+	190.095088	143.8
[M-H]-	166.098594	136.3
[M+NH4]+	185.139693	153.4
[M+K]+	206.069028	141.9
[M+H-H2O]+	150.103130	128.2
[M+HCOO]-	212.104071	158.8
[M+CH3COO]-	226.119721	181.0
[M+Na-2H]-	188.080536	143.3
[M]+	167.10532142	136.5
[M]-	167.10641858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe