CID 12610931

77184-09-9

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N(C)CC(C1=CC=CC=C1)O

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)10-12(16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3

InChIKey

PCQJVQVOOVYDST-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 251.15215 Da
Monoisotopic Mass: 2.0
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]+	252.159426	159.9
[M+Na]+	274.141368	164.3
[M-H]-	250.144874	163.1
[M+NH4]+	269.185973	176.7
[M+K]+	290.115308	164.2
[M+H-H2O]+	234.149410	153.5
[M+HCOO]-	296.150351	180.2
[M+CH3COO]-	310.166001	197.4
[M+Na-2H]-	272.126816	162.9
[M]+	251.15160142	161.9
[M]-	251.15269858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe