CID 16776498

625437-44-7

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC(=CC=C1)CNC2CC2

InChI

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

InChIKey

LJBFNXZKZYKGFY-UHFFFAOYSA-N

Compound name

N-[(3-methylphenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 161.12045 Da
Monoisotopic Mass: 2.4
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]+	162.12773	131.7
[M+Na]+	184.10967	140.4
[M-H]-	160.11317	139.4
[M+NH4]+	179.15427	147.7
[M+K]+	200.08361	137.3
[M+H-H2O]+	144.11771	125.1
[M+HCOO]-	206.11865	157.3
[M+CH3COO]-	220.13430	185.1
[M+Na-2H]-	182.09512	139.4
[M]+	161.11990	133.2
[M]-	161.12100	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe