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

30351
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

literature stripe

Patent stripe

patents stripe