CID 36568

1,2,3,4-tetraethylbenzene

Structural Information

Molecular Formula
C14H22
SMILES
CCC1=C(C(=C(C=C1)CC)CC)CC
InChI
InChI=1S/C14H22/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3/h9-10H,5-8H2,1-4H3
InChIKey
FEWANSQOXSIFOK-UHFFFAOYSA-N
Compound name
1,2,3,4-tetraethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1307
Patents

190.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17943 145.4
[M+Na]+ 213.16137 159.6
[M+NH4]+ 208.20597 155.0
[M+K]+ 229.13531 150.9
[M-H]- 189.16487 149.0
[M+Na-2H]- 211.14682 152.4
[M]+ 190.17160 148.7
[M]- 190.17270 148.7
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