CID 7261

2,4-diaminotoluene

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CC1=C(C=C(C=C1)N)N

InChI

InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

InChIKey

VOZKAJLKRJDJLL-UHFFFAOYSA-N

Compound name

4-methylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 186
References: 65648
Patents: 122.0844 Da
Monoisotopic Mass: 0.1
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]+	123.09168	122.9
[M+Na]+	145.07362	134.9
[M+NH4]+	140.11822	132.2
[M+K]+	161.04756	129.0
[M-H]-	121.07712	126.7
[M+Na-2H]-	143.05907	130.3
[M]+	122.08385	125.5
[M]-	122.08495	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe