CID 11643936

3-methylaminomethylphenylamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CNCC1=CC(=CC=C1)N

InChI

InChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3

InChIKey

HBLPYXIZPMDWIO-UHFFFAOYSA-N

Compound name

3-(methylaminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 444
Patents: 136.10005 Da
Monoisotopic Mass: 0.2
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]+	137.107326	127.2
[M+Na]+	159.089268	134.3
[M-H]-	135.092774	130.7
[M+NH4]+	154.133873	148.4
[M+K]+	175.063208	132.2
[M+H-H2O]+	119.097310	121.4
[M+HCOO]-	181.098251	153.6
[M+CH3COO]-	195.113901	178.4
[M+Na-2H]-	157.074716	134.9
[M]+	136.09950142	124.7
[M]-	136.10059858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe