CID 139365

N,n,2,4,6-pentamethylaniline

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=CC(=C(C(=C1)C)N(C)C)C

InChI

InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3

InChIKey

JZBZLRKFJWQZHU-UHFFFAOYSA-N

Compound name

N,N,2,4,6-pentamethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3878
Patents: 163.1361 Da
Monoisotopic Mass: 4.4
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]+	164.143376	134.9
[M+Na]+	186.125318	143.7
[M-H]-	162.128824	140.8
[M+NH4]+	181.169923	157.1
[M+K]+	202.099258	142.8
[M+H-H2O]+	146.133360	129.4
[M+HCOO]-	208.134301	160.4
[M+CH3COO]-	222.149951	189.2
[M+Na-2H]-	184.110766	139.7
[M]+	163.13555142	137.3
[M]-	163.13664858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe