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]+ 210.104396 144.7
[M+Na]+ 232.086338 154.5
[M-H]- 208.089844 146.6
[M+NH4]+ 227.130943 166.3
[M+K]+ 248.060278 148.8
[M+H-H2O]+ 192.094380 139.8
[M+HCOO]- 254.095321 158.0
[M+CH3COO]- 268.110971 157.2
[M+Na-2H]- 230.071786 150.6
[M]+ 209.09657142 143.6
[M]- 209.09766858 143.6
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