CID 24688562

190851-19-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,13H2,1-4H3,(H,14,15)

InChIKey

YUSDXMQVJPPUTH-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-2-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 238.13174 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]+	239.13902	154.7
[M+Na]+	261.12096	164.0
[M+NH4]+	256.16556	160.9
[M+K]+	277.09490	160.2
[M-H]-	237.12446	155.8
[M+Na-2H]-	259.10641	159.2
[M]+	238.13119	156.0
[M]-	238.13229	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe