CID 28818867

4-[(cyclopropylamino)methyl]-n-methylbenzamide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CNC(=O)C1=CC=C(C=C1)CNC2CC2

InChI

InChI=1S/C12H16N2O/c1-13-12(15)10-4-2-9(3-5-10)8-14-11-6-7-11/h2-5,11,14H,6-8H2,1H3,(H,13,15)

InChIKey

LMRIAXRUUJHEOL-UHFFFAOYSA-N

Compound name

4-[(cyclopropylamino)methyl]-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.12627 Da
Monoisotopic Mass: 1.1
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]+	205.133546	141.8
[M+Na]+	227.115488	149.2
[M-H]-	203.118994	149.3
[M+NH4]+	222.160093	155.6
[M+K]+	243.089428	145.7
[M+H-H2O]+	187.123530	134.8
[M+HCOO]-	249.124471	167.5
[M+CH3COO]-	263.140121	194.0
[M+Na-2H]-	225.100936	148.0
[M]+	204.12572142	143.1
[M]-	204.12681858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.