CID 3021298

Brn 5949914

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CCCCOC(=O)C1=CC=CC=C1OC(=O)N

InChI

InChI=1S/C12H15NO4/c1-2-3-8-16-11(14)9-6-4-5-7-10(9)17-12(13)15/h4-7H,2-3,8H2,1H3,(H2,13,15)

InChIKey

JZWIHVYDENUJHO-UHFFFAOYSA-N

Compound name

butyl 2-carbamoyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.10011 Da
Monoisotopic Mass: 1.9
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	152.8
[M+Na]+	260.08933	158.9
[M-H]-	236.09283	155.8
[M+NH4]+	255.13393	169.8
[M+K]+	276.06327	157.9
[M+H-H2O]+	220.09737	146.0
[M+HCOO]-	282.09831	176.1
[M+CH3COO]-	296.11396	192.6
[M+Na-2H]-	258.07478	155.5
[M]+	237.09956	155.3
[M]-	237.10066	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe