CID 4719961

N-[(4-methylphenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC=C(C=C1)CNC2CC2

InChI

InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)8-12-11-6-7-11/h2-5,11-12H,6-8H2,1H3

InChIKey

JRPNBGMYKFLJGJ-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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]+	162.127726	131.7
[M+Na]+	184.109668	140.4
[M-H]-	160.113174	139.4
[M+NH4]+	179.154273	147.7
[M+K]+	200.083608	137.3
[M+H-H2O]+	144.117710	125.1
[M+HCOO]-	206.118651	157.3
[M+CH3COO]-	220.134301	185.1
[M+Na-2H]-	182.095116	139.4
[M]+	161.11990142	133.2
[M]-	161.12099858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe