CID 3018019

4-chloro-2-ethyl-6-methylaniline

Structural Information

Molecular Formula
C9H12ClN
SMILES
CCC1=C(C(=CC(=C1)Cl)C)N
InChI
InChI=1S/C9H12ClN/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5H,3,11H2,1-2H3
InChIKey
WEGUQBDLWKTMOD-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

169.06583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.1
[M+Na]+ 192.055048 144.4
[M-H]- 168.058554 138.0
[M+NH4]+ 187.099653 155.9
[M+K]+ 208.028988 140.1
[M+H-H2O]+ 152.063090 129.9
[M+HCOO]- 214.064031 154.5
[M+CH3COO]- 228.079681 182.7
[M+Na-2H]- 190.040496 139.0
[M]+ 169.06528142 135.4
[M]- 169.06637858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe