CID 14760326

Tert-butyl 4-(hydroxymethyl)benzoate

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CO

InChI

InChI=1S/C12H16O3/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7,13H,8H2,1-3H3

InChIKey

MGMZECMXYCZYSQ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 208.10994 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.11722	146.7
[M+Na]+	231.09916	158.0
[M+NH4]+	226.14376	153.8
[M+K]+	247.07310	153.2
[M-H]-	207.10266	147.0
[M+Na-2H]-	229.08461	152.0
[M]+	208.10939	148.3
[M]-	208.11049	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe