CID 11194471

Allyl-t-butylcarbonate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

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

InChI

InChI=1S/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3

InChIKey

SWQDRYKDDGFPLL-UHFFFAOYSA-N

Compound name

tert-butyl prop-2-enyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 361
Patents: 158.0943 Da
Monoisotopic Mass: 2.1
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]+	159.10158	133.9
[M+Na]+	181.08352	141.5
[M-H]-	157.08702	134.5
[M+NH4]+	176.12812	155.4
[M+K]+	197.05746	141.9
[M+H-H2O]+	141.09156	130.0
[M+HCOO]-	203.09250	155.9
[M+CH3COO]-	217.10815	176.4
[M+Na-2H]-	179.06897	139.7
[M]+	158.09375	137.7
[M]-	158.09485	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe