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
2
Annotation Hits

0
References

30
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 139.0
[M+Na]+ 203.104258 147.0
[M-H]- 179.107764 141.6
[M+NH4]+ 198.148863 159.0
[M+K]+ 219.078198 144.9
[M+H-H2O]+ 163.112300 133.6
[M+HCOO]- 225.113241 161.9
[M+CH3COO]- 239.128891 181.0
[M+Na-2H]- 201.089706 144.4
[M]+ 180.11449142 141.5
[M]- 180.11558858 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