CID 10441661

5h,6h,7h-pyrrolo[1,2-a]imidazole

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC2=NC=CN2C1

InChI

InChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2

InChIKey

ZWETXQBHVRWLPW-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 636
Patents: 108.06875 Da
Monoisotopic Mass: 0.4
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]+	109.07603	119.6
[M+Na]+	131.05797	128.5
[M-H]-	107.06147	121.5
[M+NH4]+	126.10257	144.3
[M+K]+	147.03191	127.6
[M+H-H2O]+	91.066010	113.1
[M+HCOO]-	153.06695	142.5
[M+CH3COO]-	167.08260	134.3
[M+Na-2H]-	129.04342	126.1
[M]+	108.06820	118.3
[M]-	108.06930	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe