CID 11159404

742054-04-2

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCNC1=C(C=CC(=C1)C)N

InChI

InChI=1S/C9H14N2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,11H,3,10H2,1-2H3

InChIKey

COQPFZAJYBPIQD-UHFFFAOYSA-N

Compound name

2-N-ethyl-4-methylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 150.11569 Da
Monoisotopic Mass: 2.0
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]+	151.12297	131.9
[M+Na]+	173.10491	139.5
[M-H]-	149.10841	135.6
[M+NH4]+	168.14951	152.9
[M+K]+	189.07885	137.2
[M+H-H2O]+	133.11295	126.1
[M+HCOO]-	195.11389	157.9
[M+CH3COO]-	209.12954	182.7
[M+Na-2H]-	171.09036	138.2
[M]+	150.11514	130.1
[M]-	150.11624	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe