CID 104439

53207-54-8

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1(CN(C2=C(C1=O)C=CC(=C2)OC)C)C
InChI
InChI=1S/C13H17NO2/c1-13(2)8-14(3)11-7-9(16-4)5-6-10(11)12(13)15/h5-7H,8H2,1-4H3
InChIKey
ROVWVYMZURZPNP-UHFFFAOYSA-N
Compound name
7-methoxy-1,3,3-trimethyl-2H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 147.1
[M+Na]+ 242.11515 157.1
[M-H]- 218.11865 150.9
[M+NH4]+ 237.15975 168.2
[M+K]+ 258.08909 154.6
[M+H-H2O]+ 202.12319 141.1
[M+HCOO]- 264.12413 166.7
[M+CH3COO]- 278.13978 191.5
[M+Na-2H]- 240.10060 152.9
[M]+ 219.12538 149.0
[M]- 219.12648 149.0
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.