CID 4539288

3-amino-n-tert-butylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

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

InChI

InChI=1S/C11H16N2O/c1-11(2,3)13-10(14)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3,(H,13,14)

InChIKey

DHAJHGGHYYPVTM-UHFFFAOYSA-N

Compound name

3-amino-N-tert-butylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 192.12627 Da
Monoisotopic Mass: 0.9
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]+	193.133546	144.1
[M+Na]+	215.115488	150.5
[M-H]-	191.118994	147.5
[M+NH4]+	210.160093	163.1
[M+K]+	231.089428	148.5
[M+H-H2O]+	175.123530	138.3
[M+HCOO]-	237.124471	167.3
[M+CH3COO]-	251.140121	188.6
[M+Na-2H]-	213.100936	149.4
[M]+	192.12572142	142.0
[M]-	192.12681858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe