CID 89422304

Tert-butyl 2-((vinyloxy)carbonyl)ethylcarbamate

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-5-14-8(12)6-7-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)

InChIKey

IVCJTPMLEJRHBP-UHFFFAOYSA-N

Compound name

ethenyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 215.11575 Da
Monoisotopic Mass: 1.2
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]+	216.123026	149.1
[M+Na]+	238.104968	154.8
[M-H]-	214.108474	149.2
[M+NH4]+	233.149573	167.6
[M+K]+	254.078908	155.0
[M+H-H2O]+	198.113010	144.0
[M+HCOO]-	260.113951	170.7
[M+CH3COO]-	274.129601	188.6
[M+Na-2H]-	236.090416	152.8
[M]+	215.11520142	152.7
[M]-	215.11629858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe