CID 6424797

81263-87-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN1C=CC=C1CC2=CC=CN2C

InChI

InChI=1S/C11H14N2/c1-12-7-3-5-10(12)9-11-6-4-8-13(11)2/h3-8H,9H2,1-2H3

InChIKey

GIRSHINZLWWKIV-UHFFFAOYSA-N

Compound name

1-methyl-2-[(1-methylpyrrol-2-yl)methyl]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 174.11569 Da
Monoisotopic Mass: 1.4
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]+	175.12297	137.4
[M+Na]+	197.10491	151.1
[M+NH4]+	192.14951	146.3
[M+K]+	213.07885	147.5
[M-H]-	173.10841	140.3
[M+Na-2H]-	195.09036	145.7
[M]+	174.11514	140.2
[M]-	174.11624	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe