CID 13403

4-ethyl-m-xylene

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

CCC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3

InChIKey

MEMBJMDZWKVOTB-UHFFFAOYSA-N

Compound name

1-ethyl-2,4-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1550
Patents: 134.10954 Da
Monoisotopic Mass: 3.9
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]+	135.11682	127.5
[M+Na]+	157.09876	142.2
[M+NH4]+	152.14336	137.8
[M+K]+	173.07270	134.3
[M-H]-	133.10226	131.2
[M+Na-2H]-	155.08421	135.9
[M]+	134.10899	130.9
[M]-	134.11009	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe