CID 11577

Ethyl butylcarbamate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCCNC(=O)OCC

InChI

InChI=1S/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)

InChIKey

BQBKYSPXQYHTIP-UHFFFAOYSA-N

Compound name

ethyl N-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 941
Patents: 145.11028 Da
Monoisotopic Mass: 1.6
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]+	146.11756	133.0
[M+Na]+	168.09950	139.1
[M-H]-	144.10300	133.2
[M+NH4]+	163.14410	154.4
[M+K]+	184.07344	139.4
[M+H-H2O]+	128.10754	127.9
[M+HCOO]-	190.10848	157.2
[M+CH3COO]-	204.12413	177.5
[M+Na-2H]-	166.08495	138.5
[M]+	145.10973	135.2
[M]-	145.11083	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe