CID 7252

2,5-diaminotoluene

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

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

InChI

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

InChIKey

OBCSAIDCZQSFQH-UHFFFAOYSA-N

Compound name

2-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 68
References: 20514
Patents: 122.0844 Da
Monoisotopic Mass: 0.6
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]+	123.09168	123.2
[M+Na]+	145.07362	131.7
[M-H]-	121.07712	126.7
[M+NH4]+	140.11822	145.0
[M+K]+	161.04756	129.5
[M+H-H2O]+	105.08166	117.8
[M+HCOO]-	167.08260	149.2
[M+CH3COO]-	181.09825	175.9
[M+Na-2H]-	143.05907	129.5
[M]+	122.08385	119.6
[M]-	122.08495	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe