CID 10773656

105254-04-4

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)(C)C(C)(C1=CC=CC=C1)N

InChI

InChI=1S/C12H19N/c1-11(2,3)12(4,13)10-8-6-5-7-9-10/h5-9H,13H2,1-4H3

InChIKey

SSJZEUQDKLTOBE-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2-phenylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 177.15175 Da
Monoisotopic Mass: 2.7
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]+	178.15903	141.8
[M+Na]+	200.14097	148.2
[M-H]-	176.14447	145.0
[M+NH4]+	195.18557	161.8
[M+K]+	216.11491	146.0
[M+H-H2O]+	160.14901	136.8
[M+HCOO]-	222.14995	162.7
[M+CH3COO]-	236.16560	184.7
[M+Na-2H]-	198.12642	149.1
[M]+	177.15120	140.1
[M]-	177.15230	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe