CID 10130166

N-t-butylaminoethyl acrylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(C)NCCOC(=O)C=C

InChI

InChI=1S/C9H17NO2/c1-5-8(11)12-7-6-10-9(2,3)4/h5,10H,1,6-7H2,2-4H3

InChIKey

KDAKDBASXBEFFK-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3197
Patents: 171.12593 Da
Monoisotopic Mass: 1.0
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]+	172.133206	140.3
[M+Na]+	194.115148	146.4
[M-H]-	170.118654	140.5
[M+NH4]+	189.159753	160.7
[M+K]+	210.089088	145.9
[M+H-H2O]+	154.123190	135.6
[M+HCOO]-	216.124131	162.5
[M+CH3COO]-	230.139781	182.9
[M+Na-2H]-	192.100596	145.5
[M]+	171.12538142	142.1
[M]-	171.12647858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe