CID 66679

N,n-diethyl-m-toluidine

Structural Information

Molecular Formula
C11H17N
SMILES
CCN(CC)C1=CC=CC(=C1)C
InChI
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey
CIPVVROJHKLHJI-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2497
Patents

163.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.6
[M+Na]+ 186.125318 143.4
[M-H]- 162.128824 141.6
[M+NH4]+ 181.169923 158.1
[M+K]+ 202.099258 142.5
[M+H-H2O]+ 146.133360 130.4
[M+HCOO]- 208.134301 162.1
[M+CH3COO]- 222.149951 186.9
[M+Na-2H]- 184.110766 142.6
[M]+ 163.13555142 138.1
[M]- 163.13664858 138.1
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