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
2
Annotation Hits

0
References

132
Patents

208.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 149.1
[M+Na]+ 231.135548 155.7
[M-H]- 207.139054 151.2
[M+NH4]+ 226.180153 167.7
[M+K]+ 247.109488 153.4
[M+H-H2O]+ 191.143590 143.6
[M+HCOO]- 253.144531 169.7
[M+CH3COO]- 267.160181 186.3
[M+Na-2H]- 229.120996 154.7
[M]+ 208.14578142 151.4
[M]- 208.14687858 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