CID 69121108

1-methyl-2-(pyrrolidin-3-yl)-1h-imidazole

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CN1C=CN=C1C2CCNC2

InChI

InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7-2-3-9-6-7/h4-5,7,9H,2-3,6H2,1H3

InChIKey

WGKTZHNTSOLEDU-UHFFFAOYSA-N

Compound name

1-methyl-2-pyrrolidin-3-ylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.11095 Da
Monoisotopic Mass: -0.2
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]+	152.11823	133.1
[M+Na]+	174.10017	140.6
[M-H]-	150.10367	134.5
[M+NH4]+	169.14477	152.9
[M+K]+	190.07411	138.3
[M+H-H2O]+	134.10821	125.0
[M+HCOO]-	196.10915	152.7
[M+CH3COO]-	210.12480	145.7
[M+Na-2H]-	172.08562	135.6
[M]+	151.11040	128.9
[M]-	151.11150	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe