CID 17039807

2-chloro-6-ethoxy-3-methylquinoline

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CCOC1=CC2=C(C=C1)N=C(C(=C2)C)Cl
InChI
InChI=1S/C12H12ClNO/c1-3-15-10-4-5-11-9(7-10)6-8(2)12(13)14-11/h4-7H,3H2,1-2H3
InChIKey
DLRPVFUNQNZOAX-UHFFFAOYSA-N
Compound name
2-chloro-6-ethoxy-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.06075 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 144.9
[M+Na]+ 244.04997 161.6
[M+NH4]+ 239.09457 154.9
[M+K]+ 260.02391 152.7
[M-H]- 220.05347 148.3
[M+Na-2H]- 242.03542 153.1
[M]+ 221.06020 148.8
[M]- 221.06130 148.8
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