CID 15653

2-ethyl-p-xylene

Structural Information

Molecular Formula
C10H14
SMILES
CCC1=C(C=CC(=C1)C)C
InChI
InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKey
AXIUBBVSOWPLDA-UHFFFAOYSA-N
Compound name
2-ethyl-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1370
Patents

134.10954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe