CID 16756526

2-chloro-5-pentylpyrimidine

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

CCCCCC1=CN=C(N=C1)Cl

InChI

InChI=1S/C9H13ClN2/c1-2-3-4-5-8-6-11-9(10)12-7-8/h6-7H,2-5H2,1H3

InChIKey

WMARUIMXVALOMF-UHFFFAOYSA-N

Compound name

2-chloro-5-pentylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 184.07672 Da
Monoisotopic Mass: 3.6
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]+	185.08400	138.3
[M+Na]+	207.06594	153.0
[M+NH4]+	202.11054	147.1
[M+K]+	223.03988	144.7
[M-H]-	183.06944	140.1
[M+Na-2H]-	205.05139	146.1
[M]+	184.07617	141.2
[M]-	184.07727	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe