CID 11172242

Dtxsid30457629

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(=C)C(=O)OCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO4/c1-8(2)9(13)15-7-6-12-10(14)16-11(3,4)5/h1,6-7H2,2-5H3,(H,12,14)

InChIKey

HZWCSJMONGVKJV-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 206
Patents: 229.13141 Da
Monoisotopic Mass: 1.8
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]+	230.13869	153.4
[M+Na]+	252.12063	158.5
[M-H]-	228.12413	153.5
[M+NH4]+	247.16523	171.3
[M+K]+	268.09457	159.0
[M+H-H2O]+	212.12867	148.3
[M+HCOO]-	274.12961	173.8
[M+CH3COO]-	288.14526	192.5
[M+Na-2H]-	250.10608	155.4
[M]+	229.13086	156.8
[M]-	229.13196	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe