CID 3018019

83200-30-0

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
1
Annotation Hits

0
References

3
Patents

169.06583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 134.1
[M+Na]+ 192.05505 144.4
[M-H]- 168.05855 138.0
[M+NH4]+ 187.09965 155.9
[M+K]+ 208.02899 140.1
[M+H-H2O]+ 152.06309 129.9
[M+HCOO]- 214.06403 154.5
[M+CH3COO]- 228.07968 182.7
[M+Na-2H]- 190.04050 139.0
[M]+ 169.06528 135.4
[M]- 169.06638 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