CID 12195

Ethyl n-ethylcarbamate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCNC(=O)OCC

InChI

InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)

InChIKey

GZXSDYYWLZERLF-UHFFFAOYSA-N

Compound name

ethyl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 2139
Patents: 117.07898 Da
Monoisotopic Mass: 0.7
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]+	118.08626	123.7
[M+Na]+	140.06820	130.7
[M-H]-	116.07170	124.3
[M+NH4]+	135.11280	146.2
[M+K]+	156.04214	131.5
[M+H-H2O]+	100.07624	119.0
[M+HCOO]-	162.07718	148.6
[M+CH3COO]-	176.09283	171.4
[M+Na-2H]-	138.05365	130.3
[M]+	117.07843	125.2
[M]-	117.07953	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe