CID 8864

1,3-diethylbenzene

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

5
References

8553
Patents

134.10954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 128.0
[M+Na]+ 157.09876 142.3
[M+NH4]+ 152.14336 138.3
[M+K]+ 173.07270 134.2
[M-H]- 133.10226 131.7
[M+Na-2H]- 155.08421 136.6
[M]+ 134.10899 131.3
[M]- 134.11009 131.3
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