CID 2741326

18437-68-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)OC

InChI

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

InChIKey

DTJDZTUATTYLBB-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 125
Patents: 223.12085 Da
Monoisotopic Mass: 2.7
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	150.4
[M+Na]+	246.110068	157.2
[M-H]-	222.113574	154.3
[M+NH4]+	241.154673	168.8
[M+K]+	262.084008	156.5
[M+H-H2O]+	206.118110	144.4
[M+HCOO]-	268.119051	173.4
[M+CH3COO]-	282.134701	190.8
[M+Na-2H]-	244.095516	156.2
[M]+	223.12030142	153.3
[M]-	223.12139858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe