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]+ 196.08876 140.0
[M+Na]+ 218.07070 149.7
[M-H]- 194.07420 143.1
[M+NH4]+ 213.11530 162.5
[M+K]+ 234.04464 145.1
[M+H-H2O]+ 178.07874 134.6
[M+HCOO]- 240.07968 155.1
[M+CH3COO]- 254.09533 153.3
[M+Na-2H]- 216.05615 147.6
[M]+ 195.08093 140.0
[M]- 195.08203 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.