CID 3019841

2-(4-butylphenoxy)ethanol

Structural Information

Molecular Formula
C12H18O2
SMILES
CCCCC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C12H18O2/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13/h5-8,13H,2-4,9-10H2,1H3
InChIKey
LYLSCFUAIGWHHI-UHFFFAOYSA-N
Compound name
2-(4-butylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

194.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.3
[M+Na]+ 217.119898 150.9
[M-H]- 193.123404 146.3
[M+NH4]+ 212.164503 163.4
[M+K]+ 233.093838 148.4
[M+H-H2O]+ 177.127940 138.4
[M+HCOO]- 239.128881 166.9
[M+CH3COO]- 253.144531 182.9
[M+Na-2H]- 215.105346 149.8
[M]+ 194.13013142 146.7
[M]- 194.13122858 146.7
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