CID 79929

(3-ethoxypropyl)benzene

Structural Information

Molecular Formula
C11H16O
SMILES
CCOCCCC1=CC=CC=C1
InChI
InChI=1S/C11H16O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey
ONXNQYXHEAKENV-UHFFFAOYSA-N
Compound name
3-ethoxypropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

164.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.3
[M+Na]+ 187.10934 142.9
[M-H]- 163.11284 139.5
[M+NH4]+ 182.15394 157.1
[M+K]+ 203.08328 141.1
[M+H-H2O]+ 147.11738 130.4
[M+HCOO]- 209.11832 160.5
[M+CH3COO]- 223.13397 179.5
[M+Na-2H]- 185.09479 143.6
[M]+ 164.11957 138.4
[M]- 164.12067 138.4
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