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]+ 188.10700 139.4
[M+Na]+ 210.08894 147.9
[M-H]- 186.09244 142.5
[M+NH4]+ 205.13354 159.0
[M+K]+ 226.06288 144.8
[M+H-H2O]+ 170.09698 132.3
[M+HCOO]- 232.09792 161.8
[M+CH3COO]- 246.11357 183.6
[M+Na-2H]- 208.07439 148.6
[M]+ 187.09917 141.4
[M]- 187.10027 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.