CID 7734

1,4-diethylbenzene

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

19
References

35893
Patents

134.10954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 127.2
[M+Na]+ 157.09876 135.3
[M-H]- 133.10226 131.1
[M+NH4]+ 152.14336 149.6
[M+K]+ 173.07270 133.3
[M+H-H2O]+ 117.10680 122.1
[M+HCOO]- 179.10774 151.6
[M+CH3COO]- 193.12339 175.7
[M+Na-2H]- 155.08421 134.5
[M]+ 134.10899 128.0
[M]- 134.11009 128.0
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