CID 545700

N-(tert-butoxycarbonyl)-n-methyl-2-aminoethanol

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: 1800
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]+	176.128126	140.1
[M+Na]+	198.110068	146.1
[M-H]-	174.113574	140.6
[M+NH4]+	193.154673	160.4
[M+K]+	214.084008	147.6
[M+H-H2O]+	158.118110	135.5
[M+HCOO]-	220.119051	161.8
[M+CH3COO]-	234.134701	183.1
[M+Na-2H]-	196.095516	144.6
[M]+	175.12030142	143.0
[M]-	175.12139858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe