CID 444567

N-methyl-n-(methylbenzyl)formamide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C[C@@H](C1=CC=CC=C1)N(C)C=O

InChI

InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1

InChIKey

YYPINKULTUCCJA-VIFPVBQESA-N

Compound name

N-methyl-N-[(1S)-1-phenylethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 163.09972 Da
Monoisotopic Mass: 1.6
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]+	164.106996	134.9
[M+Na]+	186.088938	141.2
[M-H]-	162.092444	139.8
[M+NH4]+	181.133543	155.8
[M+K]+	202.062878	140.8
[M+H-H2O]+	146.096980	128.6
[M+HCOO]-	208.097921	160.1
[M+CH3COO]-	222.113571	184.7
[M+Na-2H]-	184.074386	140.9
[M]+	163.09917142	135.8
[M]-	163.10026858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe