CID 3293

Ethoxyquin

Structural Information

Molecular Formula
C14H19NO
SMILES
CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
InChI
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKey
DECIPOUIJURFOJ-UHFFFAOYSA-N
Compound name
6-ethoxy-2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

317
References

34076
Patents

217.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.0
[M+Na]+ 240.13589 159.1
[M-H]- 216.13939 152.2
[M+NH4]+ 235.18049 170.4
[M+K]+ 256.10983 155.1
[M+H-H2O]+ 200.14393 143.8
[M+HCOO]- 262.14487 168.8
[M+CH3COO]- 276.16052 189.2
[M+Na-2H]- 238.12134 156.3
[M]+ 217.14612 150.6
[M]- 217.14722 150.6
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.