CID 26183

13684-36-1

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

CCCCNC(=O)OC1=CC=CC(=C1)NC(=O)OC

InChI

InChI=1S/C13H18N2O4/c1-3-4-8-14-12(16)19-11-7-5-6-10(9-11)15-13(17)18-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17)

InChIKey

JGNLKFYGXRGIMJ-UHFFFAOYSA-N

Compound name

[3-(methoxycarbonylamino)phenyl] N-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 266.12665 Da
Monoisotopic Mass: 2.8
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]+	267.133926	161.1
[M+Na]+	289.115868	166.0
[M-H]-	265.119374	164.4
[M+NH4]+	284.160473	177.0
[M+K]+	305.089808	165.1
[M+H-H2O]+	249.123910	153.5
[M+HCOO]-	311.124851	185.7
[M+CH3COO]-	325.140501	200.1
[M+Na-2H]-	287.101316	164.6
[M]+	266.12610142	164.0
[M]-	266.12719858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.