CID 2756041

4-(n-boc-aminomethyl)aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)N

InChI

InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3,(H,14,15)

InChIKey

UXWQXBSQQHAGMG-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-aminophenyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1669
Patents: 222.13683 Da
Monoisotopic Mass: 1.7
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	152.1
[M+Na]+	245.12605	161.4
[M+NH4]+	240.17065	158.8
[M+K]+	261.09999	156.8
[M-H]-	221.12955	153.6
[M+Na-2H]-	243.11150	157.2
[M]+	222.13628	153.5
[M]-	222.13738	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe