CID 15932404

Tert-butyl 2-(4-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)(C)OC(=O)CC1=CC=C(C=C1)O
InChI
InChI=1S/C12H16O3/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7,13H,8H2,1-3H3
InChIKey
NNGDLOYUAYPSNM-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

208.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 146.3
[M+Na]+ 231.099158 153.5
[M-H]- 207.102664 148.8
[M+NH4]+ 226.143763 164.9
[M+K]+ 247.073098 151.9
[M+H-H2O]+ 191.107200 141.1
[M+HCOO]- 253.108141 166.8
[M+CH3COO]- 267.123791 183.9
[M+Na-2H]- 229.084606 151.3
[M]+ 208.10939142 148.2
[M]- 208.11048858 148.2
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