CID 20376982

7-chloro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H16ClN
SMILES
CC1CC(NC2=C1C=CC(=C2)Cl)(C)C
InChI
InChI=1S/C12H16ClN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7H2,1-3H3
InChIKey
GGWUNWWBZZVKPI-UHFFFAOYSA-N
Compound name
7-chloro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.09712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 144.8
[M+Na]+ 232.08634 159.8
[M+NH4]+ 227.13094 156.4
[M+K]+ 248.06028 149.4
[M-H]- 208.08984 147.9
[M+Na-2H]- 230.07179 152.6
[M]+ 209.09657 148.4
[M]- 209.09767 148.4
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