CID 3071758

138801-44-2

Structural Information

Molecular Formula

C₁₁H₁₃N₅

SMILES

C1CCN(C1)C2=NC(=NC=C2)N3C=CN=C3

InChI

InChI=1S/C11H13N5/c1-2-7-15(6-1)10-3-4-13-11(14-10)16-8-5-12-9-16/h3-5,8-9H,1-2,6-7H2

InChIKey

LVOVQAAKHMHDCA-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-4-pyrrolidin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.1171 Da
Monoisotopic Mass: 1.2
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]+	216.12438	146.8
[M+Na]+	238.10632	154.7
[M-H]-	214.10982	150.0
[M+NH4]+	233.15092	161.3
[M+K]+	254.08026	151.3
[M+H-H2O]+	198.11436	135.4
[M+HCOO]-	260.11530	165.5
[M+CH3COO]-	274.13095	158.2
[M+Na-2H]-	236.09177	149.8
[M]+	215.11655	144.0
[M]-	215.11765	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe