CID 30653

21476-57-3

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(=C)C(=O)OC(CN(C)C)CN(C)C

InChI

InChI=1S/C11H22N2O2/c1-9(2)11(14)15-10(7-12(3)4)8-13(5)6/h10H,1,7-8H2,2-6H3

InChIKey

AUBDFVCIDMEAKS-UHFFFAOYSA-N

Compound name

1,3-bis(dimethylamino)propan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 214.16812 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]+	215.175396	154.1
[M+Na]+	237.157338	158.0
[M-H]-	213.160844	156.8
[M+NH4]+	232.201943	173.4
[M+K]+	253.131278	160.3
[M+H-H2O]+	197.165380	147.7
[M+HCOO]-	259.166321	177.3
[M+CH3COO]-	273.181971	203.2
[M+Na-2H]-	235.142786	153.8
[M]+	214.16757142	157.7
[M]-	214.16866858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe