CID 17808

Proximpham

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC(=NOC(=O)NC1=CC=CC=C1)C

InChI

InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)

InChIKey

LATYTXGNKNKTDS-UHFFFAOYSA-N

Compound name

(propan-2-ylideneamino) N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 77
Patents: 192.08987 Da
Monoisotopic Mass: 1.7
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]+	193.09715	141.6
[M+Na]+	215.07909	147.5
[M-H]-	191.08259	146.6
[M+NH4]+	210.12369	161.0
[M+K]+	231.05303	147.0
[M+H-H2O]+	175.08713	134.7
[M+HCOO]-	237.08807	168.3
[M+CH3COO]-	251.10372	188.7
[M+Na-2H]-	213.06454	147.8
[M]+	192.08932	142.2
[M]-	192.09042	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe