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

4140
Patents

163.1361 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 134.9
[M+Na]+ 186.12532 143.7
[M-H]- 162.12882 140.8
[M+NH4]+ 181.16992 157.1
[M+K]+ 202.09926 142.8
[M+H-H2O]+ 146.13336 129.4
[M+HCOO]- 208.13430 160.4
[M+CH3COO]- 222.14995 189.2
[M+Na-2H]- 184.11077 139.7
[M]+ 163.13555 137.3
[M]- 163.13665 137.3
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