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 144.7
[M+Na]+ 232.08634 154.5
[M-H]- 208.08984 146.6
[M+NH4]+ 227.13094 166.3
[M+K]+ 248.06028 148.8
[M+H-H2O]+ 192.09438 139.8
[M+HCOO]- 254.09532 158.0
[M+CH3COO]- 268.11097 157.2
[M+Na-2H]- 230.07179 150.6
[M]+ 209.09657 143.6
[M]- 209.09767 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