CID 99754

1-methyl-2-phenyliminopyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN1CCCC1=NC2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c1-13-9-5-8-11(13)12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3

InChIKey

CEJCBMLKKRWTMX-UHFFFAOYSA-N

Compound name

1-methyl-N-phenylpyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 30
Patents: 174.11569 Da
Monoisotopic Mass: 1.6
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	137.6
[M+Na]+	197.10491	144.2
[M-H]-	173.10841	144.0
[M+NH4]+	192.14951	158.5
[M+K]+	213.07885	141.9
[M+H-H2O]+	157.11295	129.8
[M+HCOO]-	219.11389	162.4
[M+CH3COO]-	233.12954	183.3
[M+Na-2H]-	195.09036	142.9
[M]+	174.11514	134.8
[M]-	174.11624	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe