CID 80797

2-[4-(1,1-dimethylpropyl)phenoxy]ethanol

Structural Information

Molecular Formula
C13H20O2
SMILES
CCC(C)(C)C1=CC=C(C=C1)OCCO
InChI
InChI=1S/C13H20O2/c1-4-13(2,3)11-5-7-12(8-6-11)15-10-9-14/h5-8,14H,4,9-10H2,1-3H3
InChIKey
BXXDXUTVAFRBKC-UHFFFAOYSA-N
Compound name
2-[4-(2-methylbutan-2-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

208.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 149.1
[M+Na]+ 231.13555 155.7
[M-H]- 207.13905 151.2
[M+NH4]+ 226.18015 167.7
[M+K]+ 247.10949 153.4
[M+H-H2O]+ 191.14359 143.6
[M+HCOO]- 253.14453 169.7
[M+CH3COO]- 267.16018 186.3
[M+Na-2H]- 229.12100 154.7
[M]+ 208.14578 151.4
[M]- 208.14688 151.4
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