CID 272414

Tert-butyl hydroxy(methyl)carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C)(C)OC(=O)N(C)O

InChI

InChI=1S/C6H13NO3/c1-6(2,3)10-5(8)7(4)9/h9H,1-4H3

InChIKey

BFTVWTYYQWTLQL-UHFFFAOYSA-N

Compound name

tert-butyl N-hydroxy-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 147.08954 Da
Monoisotopic Mass: 0.6
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]+	148.09682	131.1
[M+Na]+	170.07876	139.1
[M+NH4]+	165.12336	137.6
[M+K]+	186.05270	136.9
[M-H]-	146.08226	129.1
[M+Na-2H]-	168.06421	133.6
[M]+	147.08899	131.3
[M]-	147.09009	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe