CID 16227978

930395-97-4

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

COC1=NC(=NC(=C1C=O)N2CCCC2)N

InChI

InChI=1S/C10H14N4O2/c1-16-9-7(6-15)8(12-10(11)13-9)14-4-2-3-5-14/h6H,2-5H2,1H3,(H2,11,12,13)

InChIKey

FRIOHBNVLBRJOL-UHFFFAOYSA-N

Compound name

2-amino-4-methoxy-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 222.11168 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]+	223.118956	148.9
[M+Na]+	245.100898	157.2
[M-H]-	221.104404	151.5
[M+NH4]+	240.145503	164.5
[M+K]+	261.074838	154.4
[M+H-H2O]+	205.108940	139.9
[M+HCOO]-	267.109881	169.6
[M+CH3COO]-	281.125531	189.8
[M+Na-2H]-	243.086346	151.8
[M]+	222.11113142	147.7
[M]-	222.11222858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe