CID 20376985

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

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1CC(NC2=C1C(=CC=C2)OC)(C)C
InChI
InChI=1S/C13H19NO/c1-9-8-13(2,3)14-10-6-5-7-11(15-4)12(9)10/h5-7,9,14H,8H2,1-4H3
InChIKey
NLHNXYKKJHCVSX-UHFFFAOYSA-N
Compound name
5-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe