CID 88611

20602-77-1

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(=C)C(=O)OCCCN(C)C

InChI

InChI=1S/C9H17NO2/c1-8(2)9(11)12-7-5-6-10(3)4/h1,5-7H2,2-4H3

InChIKey

WWJCRUKUIQRCGP-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9679
Patents: 171.12593 Da
Monoisotopic Mass: 2.0
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	140.4
[M+Na]+	194.115148	146.0
[M-H]-	170.118654	141.9
[M+NH4]+	189.159753	161.2
[M+K]+	210.089088	147.0
[M+H-H2O]+	154.123190	135.0
[M+HCOO]-	216.124131	163.7
[M+CH3COO]-	230.139781	187.8
[M+Na-2H]-	192.100596	142.9
[M]+	171.12538142	143.5
[M]-	171.12647858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe