CID 15479668

165196-44-1

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C10H18N2O3/c1-5-8(13)11-6-7-12-9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)

InChIKey

SXIILERIAIKHJG-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(prop-2-enoylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 214.13174 Da
Monoisotopic Mass: 0.8
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]+	215.139016	150.7
[M+Na]+	237.120958	155.6
[M-H]-	213.124464	150.8
[M+NH4]+	232.165563	168.9
[M+K]+	253.094898	155.3
[M+H-H2O]+	197.129000	145.2
[M+HCOO]-	259.129941	173.1
[M+CH3COO]-	273.145591	191.6
[M+Na-2H]-	235.106406	154.4
[M]+	214.13119142	151.9
[M]-	214.13228858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe