CID 156741593

2-chloro-6,6-dimethyl-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C11H14ClN
SMILES
CC1(CCC2=C(C1)C=CC(=N2)Cl)C
InChI
InChI=1S/C11H14ClN/c1-11(2)6-5-9-8(7-11)3-4-10(12)13-9/h3-4H,5-7H2,1-2H3
InChIKey
TZMUBVNOTNKHLV-UHFFFAOYSA-N
Compound name
2-chloro-6,6-dimethyl-7,8-dihydro-5H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08148 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.088756 140.0
[M+Na]+ 218.070698 149.7
[M-H]- 194.074204 143.1
[M+NH4]+ 213.115303 162.5
[M+K]+ 234.044638 145.1
[M+H-H2O]+ 178.078740 134.6
[M+HCOO]- 240.079681 155.1
[M+CH3COO]- 254.095331 153.3
[M+Na-2H]- 216.056146 147.6
[M]+ 195.08093142 140.0
[M]- 195.08202858 140.0
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

No patent data available for this compound.