CID 53420358

885270-77-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC1=CC(=C(C=C1)N)NC(=O)OC(C)(C)C

InChI

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

InChIKey

ITNKEMSWAOSDIT-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-5-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 222.13683 Da
Monoisotopic Mass: 2.2
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	151.9
[M+Na]+	245.12605	161.7
[M+NH4]+	240.17065	158.7
[M+K]+	261.09999	157.3
[M-H]-	221.12955	153.5
[M+Na-2H]-	243.11150	156.8
[M]+	222.13628	153.5
[M]-	222.13738	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe