CID 431636

14814-75-6

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CNC1=CC(=CC=C1)NC

InChI

InChI=1S/C8H12N2/c1-9-7-4-3-5-8(6-7)10-2/h3-6,9-10H,1-2H3

InChIKey

UQBNGMRDYGPUOO-UHFFFAOYSA-N

Compound name

1-N,3-N-dimethylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 876
Patents: 136.10005 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]+	137.107326	126.8
[M+Na]+	159.089268	133.9
[M-H]-	135.092774	130.8
[M+NH4]+	154.133873	148.3
[M+K]+	175.063208	132.1
[M+H-H2O]+	119.097310	120.9
[M+HCOO]-	181.098251	153.8
[M+CH3COO]-	195.113901	179.1
[M+Na-2H]-	157.074716	135.5
[M]+	136.09950142	125.2
[M]-	136.10059858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe