CID 12841

2-(4-tert-butylphenoxy)ethanol

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCCO
InChI
InChI=1S/C12H18O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7,13H,8-9H2,1-3H3
InChIKey
KGPFHDDLZCYWAO-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

213
Patents

194.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.6
[M+Na]+ 217.11990 151.8
[M-H]- 193.12340 147.0
[M+NH4]+ 212.16450 163.9
[M+K]+ 233.09384 149.8
[M+H-H2O]+ 177.12794 139.4
[M+HCOO]- 239.12888 165.6
[M+CH3COO]- 253.14453 182.6
[M+Na-2H]- 215.10535 150.7
[M]+ 194.13013 146.5
[M]- 194.13123 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe