CID 597855

3-chloro-2,6-diethylaniline

Structural Information

Molecular Formula
C10H14ClN
SMILES
CCC1=C(C(=C(C=C1)Cl)CC)N
InChI
InChI=1S/C10H14ClN/c1-3-7-5-6-9(11)8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKey
VDJBIPLKIGSVRG-UHFFFAOYSA-N
Compound name
3-chloro-2,6-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1048
Patents

183.08148 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.088756 138.8
[M+Na]+ 206.070698 148.6
[M-H]- 182.074204 142.5
[M+NH4]+ 201.115303 160.0
[M+K]+ 222.044638 144.1
[M+H-H2O]+ 166.078740 134.4
[M+HCOO]- 228.079681 158.9
[M+CH3COO]- 242.095331 185.8
[M+Na-2H]- 204.056146 143.1
[M]+ 183.08093142 140.5
[M]- 183.08202858 140.5
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