CID 12240290

Tert-butyl methoxycarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C)(C)OC(=O)NOC

InChI

InChI=1S/C6H13NO3/c1-6(2,3)10-5(8)7-9-4/h1-4H3,(H,7,8)

InChIKey

FYTBDYZBNKGJRH-UHFFFAOYSA-N

Compound name

tert-butyl N-methoxycarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 147.08954 Da
Monoisotopic Mass: 1.0
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]+	148.09682	131.0
[M+Na]+	170.07876	139.3
[M+NH4]+	165.12336	137.6
[M+K]+	186.05270	136.3
[M-H]-	146.08226	129.2
[M+Na-2H]-	168.06421	133.8
[M]+	147.08899	131.3
[M]-	147.09009	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe