CID 22099083

2-chloro-5-decylpyrimidine

Structural Information

Molecular Formula

C₁₄H₂₃ClN₂

SMILES

CCCCCCCCCCC1=CN=C(N=C1)Cl

InChI

InChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3

InChIKey

LJRSECCCAXFYFU-UHFFFAOYSA-N

Compound name

2-chloro-5-decylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 254.15498 Da
Monoisotopic Mass: 6.3
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]+	255.16226	160.9
[M+Na]+	277.14420	167.8
[M-H]-	253.14770	160.4
[M+NH4]+	272.18880	176.4
[M+K]+	293.11814	162.5
[M+H-H2O]+	237.15224	152.9
[M+HCOO]-	299.15318	176.4
[M+CH3COO]-	313.16883	196.7
[M+Na-2H]-	275.12965	165.3
[M]+	254.15443	165.8
[M]-	254.15553	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe