CID 545700

57561-39-4

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

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

InChI

InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h10H,5-6H2,1-4H3

InChIKey

RFDSJHHLGFFVHD-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydroxyethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1917
Patents: 175.12085 Da
Monoisotopic Mass: 0.4
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]+	176.12813	139.9
[M+Na]+	198.11007	147.5
[M+NH4]+	193.15467	146.0
[M+K]+	214.08401	144.8
[M-H]-	174.11357	137.8
[M+Na-2H]-	196.09552	141.8
[M]+	175.12030	140.0
[M]-	175.12140	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe