CID 53414778

100038-68-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6-7H,1H2,2-5H3,(H,11,13)

InChIKey

OCLGYEARXGFDHM-UHFFFAOYSA-N

Compound name

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	154.3
[M-H]-	214.10847	148.9
[M+NH4]+	233.14957	167.2
[M+K]+	254.07891	155.0
[M+H-H2O]+	198.11301	143.8
[M+HCOO]-	260.11395	169.4
[M+CH3COO]-	274.12960	189.5
[M+Na-2H]-	236.09042	151.2
[M]+	215.11520	151.7
[M]-	215.11630	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe