CID 736159

79722-21-7

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NOCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)

InChIKey

MZNBNPWFHGWAGH-UHFFFAOYSA-N

Compound name

tert-butyl N-phenylmethoxycarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 266
Patents: 223.12085 Da
Monoisotopic Mass: 2.5
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	151.0
[M+Na]+	246.110068	156.8
[M-H]-	222.113574	154.4
[M+NH4]+	241.154673	169.1
[M+K]+	262.084008	156.1
[M+H-H2O]+	206.118110	144.7
[M+HCOO]-	268.119051	174.0
[M+CH3COO]-	282.134701	189.6
[M+Na-2H]-	244.095516	157.4
[M]+	223.12030142	153.5
[M]-	223.12139858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe