CID 74107

1-ethoxy-4-ethylbenzene

Structural Information

Molecular Formula
C10H14O
SMILES
CCC1=CC=C(C=C1)OCC
InChI
InChI=1S/C10H14O/c1-3-9-5-7-10(8-6-9)11-4-2/h5-8H,3-4H2,1-2H3
InChIKey
BQBROHBMIBOPFU-UHFFFAOYSA-N
Compound name
1-ethoxy-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1006
Patents

150.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.9
[M+Na]+ 173.093678 138.9
[M-H]- 149.097184 134.7
[M+NH4]+ 168.138283 152.6
[M+K]+ 189.067618 137.4
[M+H-H2O]+ 133.101720 125.5
[M+HCOO]- 195.102661 155.5
[M+CH3COO]- 209.118311 177.6
[M+Na-2H]- 171.079126 138.1
[M]+ 150.10391142 133.1
[M]- 150.10500858 133.1
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