CID 86691

18262-03-8

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

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

InChI

InChI=1S/C9H17NO2/c1-7(2)9(11)12-8(3)6-10(4)5/h8H,1,6H2,2-5H3

InChIKey

UOISBTHHJANVEM-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 171.12593 Da
Monoisotopic Mass: 1.9
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	145.7
[M-H]-	170.118654	141.9
[M+NH4]+	189.159753	161.1
[M+K]+	210.089088	147.2
[M+H-H2O]+	154.123190	135.0
[M+HCOO]-	216.124131	162.7
[M+CH3COO]-	230.139781	188.7
[M+Na-2H]-	192.100596	141.6
[M]+	171.12538142	142.7
[M]-	171.12647858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe