CID 11040679

Pyrrolo[1,2-c]pyrimidine

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

C1=CN2C=NC=CC2=C1

InChI

InChI=1S/C7H6N2/c1-2-7-3-4-8-6-9(7)5-1/h1-6H

InChIKey

RIEKLTCRUGDAPM-UHFFFAOYSA-N

Compound name

pyrrolo[1,2-c]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1694
Patents: 118.0531 Da
Monoisotopic Mass: 1.8
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]+	119.06038	118.0
[M+Na]+	141.04232	128.9
[M-H]-	117.04582	120.5
[M+NH4]+	136.08692	140.8
[M+K]+	157.01626	126.5
[M+H-H2O]+	101.05036	111.3
[M+HCOO]-	163.05130	142.8
[M+CH3COO]-	177.06695	133.4
[M+Na-2H]-	139.02777	129.0
[M]+	118.05255	119.3
[M]-	118.05365	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe