CID 24229766

937796-10-6

Structural Information

Molecular Formula

C₉H₁₁N₃O

SMILES

C1CCN(C1)C2=NC=C(C=N2)C=O

InChI

InChI=1S/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2

InChIKey

KJMKROLYLRRJDN-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 177.09021 Da
Monoisotopic Mass: 0.6
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]+	178.09749	137.3
[M+Na]+	200.07943	145.2
[M-H]-	176.08293	139.7
[M+NH4]+	195.12403	154.8
[M+K]+	216.05337	142.7
[M+H-H2O]+	160.08747	128.4
[M+HCOO]-	222.08841	157.7
[M+CH3COO]-	236.10406	178.1
[M+Na-2H]-	198.06488	142.5
[M]+	177.08966	135.2
[M]-	177.09076	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe