CID 90536

2,6-diethyl-4-methylaniline

Structural Information

Molecular Formula
C11H17N
SMILES
CCC1=CC(=CC(=C1N)CC)C
InChI
InChI=1S/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
InChIKey
OIXUMNZGNCAOKY-UHFFFAOYSA-N
Compound name
2,6-diethyl-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

331
Patents

163.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.5
[M+Na]+ 186.12532 149.8
[M+NH4]+ 181.16992 145.9
[M+K]+ 202.09926 142.4
[M-H]- 162.12882 140.2
[M+Na-2H]- 184.11077 143.5
[M]+ 163.13555 139.5
[M]- 163.13665 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe