CID 15525521

Tert-butyl 2-(2-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)(C)OC(=O)CC1=CC=CC=C1O
InChI
InChI=1S/C12H16O3/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h4-7,13H,8H2,1-3H3
InChIKey
WQKQVLJLRPWESF-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

208.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 146.3
[M+Na]+ 231.09916 153.5
[M-H]- 207.10266 148.8
[M+NH4]+ 226.14376 164.9
[M+K]+ 247.07310 151.9
[M+H-H2O]+ 191.10720 141.1
[M+HCOO]- 253.10814 166.8
[M+CH3COO]- 267.12379 183.9
[M+Na-2H]- 229.08461 151.3
[M]+ 208.10939 148.2
[M]- 208.11049 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