CID 13855175

113283-94-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

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

InChI

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

InChIKey

UEMBJWFXLNFZPE-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(methylamino)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 222.13683 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]+	223.14411	152.0
[M+Na]+	245.12605	161.7
[M+NH4]+	240.17065	159.0
[M+K]+	261.09999	156.8
[M-H]-	221.12955	153.7
[M+Na-2H]-	243.11150	157.6
[M]+	222.13628	153.6
[M]-	222.13738	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe