CID 570886

99985-64-5

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)OC(=O)C1=CC=CC=C1NC

InChI

InChI=1S/C11H15NO2/c1-8(2)14-11(13)9-6-4-5-7-10(9)12-3/h4-8,12H,1-3H3

InChIKey

OBKVPPPSOAFJDS-UHFFFAOYSA-N

Compound name

propan-2-yl 2-(methylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 193.11028 Da
Monoisotopic Mass: 3.1
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]+	194.11756	142.9
[M+Na]+	216.09950	149.3
[M-H]-	192.10300	146.7
[M+NH4]+	211.14410	162.3
[M+K]+	232.07344	148.4
[M+H-H2O]+	176.10754	136.7
[M+HCOO]-	238.10848	166.6
[M+CH3COO]-	252.12413	187.5
[M+Na-2H]-	214.08495	147.2
[M]+	193.10973	144.0
[M]-	193.11083	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe