CID 4271883

Tert-butyl n-butylcarbamate

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C9H19NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5-7H2,1-4H3,(H,10,11)

InChIKey

MXSNQMUVXLVDHI-UHFFFAOYSA-N

Compound name

tert-butyl N-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 674
Patents: 173.14159 Da
Monoisotopic Mass: 2.2
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]+	174.14887	141.4
[M+Na]+	196.13081	149.7
[M+NH4]+	191.17541	148.1
[M+K]+	212.10475	145.4
[M-H]-	172.13431	140.1
[M+Na-2H]-	194.11626	144.0
[M]+	173.14104	141.9
[M]-	173.14214	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe