CID 18727732

4-amino-3-methyl-benzylamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=C(C=CC(=C1)CN)N

InChI

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

InChIKey

KECXPMLVCMSECK-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
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	127.8
[M+Na]+	159.089268	135.9
[M-H]-	135.092774	131.1
[M+NH4]+	154.133873	149.1
[M+K]+	175.063208	133.4
[M+H-H2O]+	119.097310	122.2
[M+HCOO]-	181.098251	153.5
[M+CH3COO]-	195.113901	179.0
[M+Na-2H]-	157.074716	133.6
[M]+	136.09950142	124.6
[M]-	136.10059858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe