CID 11198486

38267-76-4

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C7H15NO2/c1-5-8-6(9)10-7(2,3)4/h5H2,1-4H3,(H,8,9)

InChIKey

ISTGQSQWSKCNFJ-UHFFFAOYSA-N

Compound name

tert-butyl N-ethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2967
Patents: 145.11028 Da
Monoisotopic Mass: 1.3
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	132.7
[M+Na]+	168.09950	139.5
[M-H]-	144.10300	133.4
[M+NH4]+	163.14410	154.4
[M+K]+	184.07344	140.1
[M+H-H2O]+	128.10754	128.4
[M+HCOO]-	190.10848	155.5
[M+CH3COO]-	204.12413	177.1
[M+Na-2H]-	166.08495	139.0
[M]+	145.10973	134.4
[M]-	145.11083	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe