CID 22337080

421551-76-0

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)CO

InChI

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)

InChIKey

UDROTENLDOIPLQ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
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	160.2
[M+Na]+	274.141368	165.7
[M-H]-	250.144874	162.3
[M+NH4]+	269.185973	176.7
[M+K]+	290.115308	163.6
[M+H-H2O]+	234.149410	154.1
[M+HCOO]-	296.150351	181.0
[M+CH3COO]-	310.166001	194.3
[M+Na-2H]-	272.126816	164.4
[M]+	251.15160142	162.0
[M]-	251.15269858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe