CID 43379491

1185692-43-6

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CCCN3

InChI

InChI=1S/C12H15N3/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)

InChIKey

GHTGLFGDGAUKFP-UHFFFAOYSA-N

Compound name

6-methyl-2-pyrrolidin-2-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 201.1266 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]+	202.13388	144.9
[M+Na]+	224.11582	157.3
[M+NH4]+	219.16042	153.3
[M+K]+	240.08976	154.3
[M-H]-	200.11932	146.8
[M+Na-2H]-	222.10127	150.9
[M]+	201.12605	147.0
[M]-	201.12715	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe