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]+ 222.068026 145.1
[M+Na]+ 244.049968 156.3
[M-H]- 220.053474 148.7
[M+NH4]+ 239.094573 164.9
[M+K]+ 260.023908 151.5
[M+H-H2O]+ 204.058010 139.1
[M+HCOO]- 266.058951 162.9
[M+CH3COO]- 280.074601 189.6
[M+Na-2H]- 242.035416 152.4
[M]+ 221.06020142 150.0
[M]- 221.06129858 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