CID 53420359

885270-83-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)C1=CC=CC=C1N

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14(4)10-8-6-5-7-9(10)13/h5-8H,13H2,1-4H3

InChIKey

QWLGWHNBBXMGRY-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-aminophenyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 222.13683 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]+	223.14411	151.6
[M+Na]+	245.12605	157.7
[M-H]-	221.12955	156.3
[M+NH4]+	240.17065	170.1
[M+K]+	261.09999	157.5
[M+H-H2O]+	205.13409	145.2
[M+HCOO]-	267.13503	175.2
[M+CH3COO]-	281.15068	196.5
[M+Na-2H]-	243.11150	155.8
[M]+	222.13628	152.5
[M]-	222.13738	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe