CID 81118

6-ethoxy-2-methylquinoline

Structural Information

Molecular Formula
C12H13NO
SMILES
CCOC1=CC2=C(C=C1)N=C(C=C2)C
InChI
InChI=1S/C12H13NO/c1-3-14-11-6-7-12-10(8-11)5-4-9(2)13-12/h4-8H,3H2,1-2H3
InChIKey
VTGXHCUQALWXCR-UHFFFAOYSA-N
Compound name
6-ethoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

37
Patents

187.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.2
[M+Na]+ 210.08894 148.7
[M-H]- 186.09244 142.8
[M+NH4]+ 205.13354 159.2
[M+K]+ 226.06288 145.7
[M+H-H2O]+ 170.09698 132.4
[M+HCOO]- 232.09792 161.7
[M+CH3COO]- 246.11357 184.7
[M+Na-2H]- 208.07439 147.8
[M]+ 187.09917 141.7
[M]- 187.10027 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe