CID 10443259

56776-34-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-7(8(12)14-6)11(5)9(13)15-10(2,3)4/h1H2,2-6H3

InChIKey

PSRPUVSPQIFABF-UHFFFAOYSA-N

Compound name

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 215.11575 Da
Monoisotopic Mass: 1.7
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]+	216.12303	148.7
[M+Na]+	238.10497	155.4
[M+NH4]+	233.14957	153.4
[M+K]+	254.07891	154.0
[M-H]-	214.10847	145.5
[M+Na-2H]-	236.09042	149.4
[M]+	215.11520	148.2
[M]-	215.11630	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe