CID 37566

36882-00-5

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN(C)CCOC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-13(2)8-9-15-12(14)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3

InChIKey

KJAORRLXEXMTSY-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 207.12593 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]+	208.133206	147.8
[M+Na]+	230.115148	153.2
[M-H]-	206.118654	152.3
[M+NH4]+	225.159753	166.9
[M+K]+	246.089088	152.9
[M+H-H2O]+	190.123190	140.8
[M+HCOO]-	252.124131	172.6
[M+CH3COO]-	266.139781	192.0
[M+Na-2H]-	228.100596	152.6
[M]+	207.12538142	150.8
[M]-	207.12647858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe