CID 11264468

154145-82-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)C(CC=C)(CC=C)N

InChI

InChI=1S/C10H17NO2/c1-4-7-10(11,8-5-2)9(12)13-6-3/h4-5H,1-2,6-8,11H2,3H3

InChIKey

NCDRBPYUPVZWDA-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-prop-2-enylpent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.12593 Da
Monoisotopic Mass: 1.6
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]+	184.133206	143.6
[M+Na]+	206.115148	149.4
[M-H]-	182.118654	143.0
[M+NH4]+	201.159753	163.0
[M+K]+	222.089088	147.7
[M+H-H2O]+	166.123190	138.7
[M+HCOO]-	228.124131	165.0
[M+CH3COO]-	242.139781	185.0
[M+Na-2H]-	204.100596	147.2
[M]+	183.12538142	144.1
[M]-	183.12647858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe