CID 13097653

7544-57-2

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: 138
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	148.9
[M-H]-	176.14447	145.6
[M+NH4]+	195.18557	162.3
[M+K]+	216.11491	146.9
[M+H-H2O]+	160.14901	136.5
[M+HCOO]-	222.14995	164.1
[M+CH3COO]-	236.16560	188.6
[M+Na-2H]-	198.12642	144.1
[M]+	177.15120	140.9
[M]-	177.15230	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe