CID 123474

38577-24-1

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=CC=C(C=C1)NNC=O

InChI

InChI=1S/C8H10N2O/c1-7-2-4-8(5-3-7)10-9-6-11/h2-6,10H,1H3,(H,9,11)

InChIKey

DDPJROKUKMXGPW-UHFFFAOYSA-N

Compound name

N-(4-methylanilino)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 150.07932 Da
Monoisotopic Mass: 1.8
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]+	151.08660	128.7
[M+Na]+	173.06854	136.0
[M-H]-	149.07204	132.6
[M+NH4]+	168.11314	149.4
[M+K]+	189.04248	134.1
[M+H-H2O]+	133.07658	122.6
[M+HCOO]-	195.07752	156.1
[M+CH3COO]-	209.09317	180.3
[M+Na-2H]-	171.05399	137.3
[M]+	150.07877	127.8
[M]-	150.07987	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe