CID 119084537

4-(2-methoxyethyl)quinoline

Structural Information

Molecular Formula
C12H13NO
SMILES
COCCC1=CC=NC2=CC=CC=C12
InChI
InChI=1S/C12H13NO/c1-14-9-7-10-6-8-13-12-5-3-2-4-11(10)12/h2-6,8H,7,9H2,1H3
InChIKey
PKUCOXAVONRNOH-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 139.4
[M+Na]+ 210.088938 147.9
[M-H]- 186.092444 142.5
[M+NH4]+ 205.133543 159.0
[M+K]+ 226.062878 144.8
[M+H-H2O]+ 170.096980 132.3
[M+HCOO]- 232.097921 161.8
[M+CH3COO]- 246.113571 183.6
[M+Na-2H]- 208.074386 148.6
[M]+ 187.09917142 141.4
[M]- 187.10026858 141.4
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

No patent data available for this compound.