CID 4266080

8-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1CC(NC2=C1C=CC=C2OC)(C)C
InChI
InChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-10(9)6-5-7-11(12)15-4/h5-7,9,14H,8H2,1-4H3
InChIKey
VRGWTUYPGVAHGX-UHFFFAOYSA-N
Compound name
8-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.0
[M+Na]+ 228.13589 155.5
[M-H]- 204.13939 149.0
[M+NH4]+ 223.18049 167.8
[M+K]+ 244.10983 152.0
[M+H-H2O]+ 188.14393 141.0
[M+HCOO]- 250.14487 164.6
[M+CH3COO]- 264.16052 186.5
[M+Na-2H]- 226.12134 152.8
[M]+ 205.14612 145.8
[M]- 205.14722 145.8
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