CID 54592515

180593-41-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

InChIKey

OLCINQXFUANAPJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-hydroxyphenyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 223.12085 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]+	224.128126	150.0
[M+Na]+	246.110068	156.6
[M-H]-	222.113574	154.0
[M+NH4]+	241.154673	168.4
[M+K]+	262.084008	156.4
[M+H-H2O]+	206.118110	144.2
[M+HCOO]-	268.119051	172.1
[M+CH3COO]-	282.134701	191.7
[M+Na-2H]-	244.095516	154.7
[M]+	223.12030142	152.4
[M]-	223.12139858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe