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 145.1
[M+Na]+ 244.04997 156.3
[M-H]- 220.05347 148.7
[M+NH4]+ 239.09457 164.9
[M+K]+ 260.02391 151.5
[M+H-H2O]+ 204.05801 139.1
[M+HCOO]- 266.05895 162.9
[M+CH3COO]- 280.07460 189.6
[M+Na-2H]- 242.03542 152.4
[M]+ 221.06020 150.0
[M]- 221.06130 150.0
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