CID 643478

7-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1=CC(NC2=C1C=CC(=C2)OC)(C)C
InChI
InChI=1S/C13H17NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5-8,14H,1-4H3
InChIKey
VNIQAUZZZWOJPT-UHFFFAOYSA-N
Compound name
7-methoxy-2,2,4-trimethyl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

203.13101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.3
[M+Na]+ 226.12023 154.9
[M-H]- 202.12373 147.8
[M+NH4]+ 221.16483 166.3
[M+K]+ 242.09417 151.2
[M+H-H2O]+ 186.12827 139.4
[M+HCOO]- 248.12921 164.5
[M+CH3COO]- 262.14486 186.1
[M+Na-2H]- 224.10568 152.2
[M]+ 203.13046 145.6
[M]- 203.13156 145.6
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