CID 21937357

3-ethylbenzene-1,2-diamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCC1=C(C(=CC=C1)N)N

InChI

InChI=1S/C8H12N2/c1-2-6-4-3-5-7(9)8(6)10/h3-5H,2,9-10H2,1H3

InChIKey

ZXRJUBLHFHDUJH-UHFFFAOYSA-N

Compound name

3-ethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 136.10005 Da
Monoisotopic Mass: 1.4
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]+	137.10733	127.5
[M+Na]+	159.08927	139.3
[M+NH4]+	154.13387	136.5
[M+K]+	175.06321	133.1
[M-H]-	135.09277	131.2
[M+Na-2H]-	157.07472	134.5
[M]+	136.09950	130.0
[M]-	136.10060	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe