CID 115194849

N-methyl-n-[(naphthalen-1-yl)methyl]carbamoyl chloride

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

CN(CC1=CC=CC2=CC=CC=C21)C(=O)Cl

InChI

InChI=1S/C13H12ClNO/c1-15(13(14)16)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3

InChIKey

QRFISVCTUOUECE-UHFFFAOYSA-N

Compound name

N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.06075 Da
Monoisotopic Mass: 3.6
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]+	234.068026	149.2
[M+Na]+	256.049968	157.4
[M-H]-	232.053474	154.9
[M+NH4]+	251.094573	169.4
[M+K]+	272.023908	153.6
[M+H-H2O]+	216.058010	143.3
[M+HCOO]-	278.058951	168.7
[M+CH3COO]-	292.074601	195.3
[M+Na-2H]-	254.035416	155.7
[M]+	233.06020142	152.5
[M]-	233.06129858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.