CID 11448

Tert-butyl methacrylate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC(=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3

InChIKey

SJMYWORNLPSJQO-UHFFFAOYSA-N

Compound name

tert-butyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 80772
Patents: 142.09938 Da
Monoisotopic Mass: 2.5
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]+	143.106656	130.1
[M+Na]+	165.088598	137.4
[M-H]-	141.092104	130.8
[M+NH4]+	160.133203	152.1
[M+K]+	181.062538	137.7
[M+H-H2O]+	125.096640	126.4
[M+HCOO]-	187.097581	150.8
[M+CH3COO]-	201.113231	175.9
[M+Na-2H]-	163.074046	134.6
[M]+	142.09883142	131.8
[M]-	142.09992858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe