CID 12275055

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

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC2=CN=CN2C1

InChI

InChI=1S/C6H8N2/c1-2-6-4-7-5-8(6)3-1/h4-5H,1-3H2

InChIKey

INRNDPUMEATXKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 156
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]+	109.076026	119.6
[M+Na]+	131.057968	128.5
[M-H]-	107.061474	121.5
[M+NH4]+	126.102573	144.3
[M+K]+	147.031908	127.6
[M+H-H2O]+	91.066010	113.1
[M+HCOO]-	153.066951	142.5
[M+CH3COO]-	167.082601	134.3
[M+Na-2H]-	129.043416	126.1
[M]+	108.06820142	118.3
[M]-	108.06929858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe