CID 23115761

1044769-59-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1=CC=C(C=C1)CN2CCC(C2)N

InChI

InChI=1S/C12H18N2/c1-10-2-4-11(5-3-10)8-14-7-6-12(13)9-14/h2-5,12H,6-9,13H2,1H3

InChIKey

INUIZQJUGAJHBH-UHFFFAOYSA-N

Compound name

1-[(4-methylphenyl)methyl]pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.147 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]+	191.15428	144.5
[M+Na]+	213.13622	156.0
[M+NH4]+	208.18082	153.6
[M+K]+	229.11016	150.6
[M-H]-	189.13972	148.7
[M+Na-2H]-	211.12167	151.4
[M]+	190.14645	147.2
[M]-	190.14755	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe