CID 20186

Acylate

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CC(C)OC(=O)N(C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C12H15NO4/c1-9(2)16-12(15)13(17-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3

InChIKey

ODIGIKRIUKFKHP-UHFFFAOYSA-N

Compound name

(N-propan-2-yloxycarbonylanilino) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38016
Patents: 237.10011 Da
Monoisotopic Mass: 2.6
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]+	238.10739	152.5
[M+Na]+	260.08933	162.0
[M+NH4]+	255.13393	158.8
[M+K]+	276.06327	158.5
[M-H]-	236.09283	153.2
[M+Na-2H]-	258.07478	157.3
[M]+	237.09956	153.7
[M]-	237.10066	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe