CID 13097653

3,5-diisopropylaniline

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

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

InChI

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

InChIKey

HGOAOVKVNRTSSQ-UHFFFAOYSA-N

Compound name

3,5-di(propan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 177.15175 Da
Monoisotopic Mass: 3.5
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]+	178.15903	142.2
[M+Na]+	200.14097	154.1
[M+NH4]+	195.18557	151.1
[M+K]+	216.11491	147.9
[M-H]-	176.14447	145.4
[M+Na-2H]-	198.12642	148.3
[M]+	177.15120	144.8
[M]-	177.15230	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe