CID 11615305

Schembl29176421

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

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

InChI

InChI=1S/C10H18O3/c1-7-10(5,6)13-8(11)12-9(2,3)4/h7H,1H2,2-6H3

InChIKey

ZJQDKOCPGJENOX-UHFFFAOYSA-N

Compound name

tert-butyl 2-methylbut-3-en-2-yl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 186.1256 Da
Monoisotopic Mass: 2.7
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]+	187.13288	141.8
[M+Na]+	209.11482	149.0
[M-H]-	185.11832	142.4
[M+NH4]+	204.15942	162.2
[M+K]+	225.08876	149.3
[M+H-H2O]+	169.12286	138.2
[M+HCOO]-	231.12380	161.5
[M+CH3COO]-	245.13945	182.9
[M+Na-2H]-	207.10027	147.5
[M]+	186.12505	145.9
[M]-	186.12615	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe