CID 110129

2-ethoxy-5-propylphenol

Structural Information

Molecular Formula
C11H16O2
SMILES
CCCC1=CC(=C(C=C1)OCC)O
InChI
InChI=1S/C11H16O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h6-8,12H,3-5H2,1-2H3
InChIKey
XDZLFEKELKUEPL-UHFFFAOYSA-N
Compound name
2-ethoxy-5-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.0
[M+Na]+ 203.10426 147.0
[M-H]- 179.10776 141.6
[M+NH4]+ 198.14886 159.0
[M+K]+ 219.07820 144.9
[M+H-H2O]+ 163.11230 133.6
[M+HCOO]- 225.11324 161.9
[M+CH3COO]- 239.12889 181.0
[M+Na-2H]- 201.08971 144.4
[M]+ 180.11449 141.5
[M]- 180.11559 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe