CID 79834189

2-chloro-8,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H13ClN2
SMILES
CC1(CCCC2=CC(=C(N=C21)Cl)C#N)C
InChI
InChI=1S/C12H13ClN2/c1-12(2)5-3-4-8-6-9(7-14)11(13)15-10(8)12/h6H,3-5H2,1-2H3
InChIKey
WZAXZJFJGCBXFX-UHFFFAOYSA-N
Compound name
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

220.07672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08400 145.5
[M+Na]+ 243.06594 159.7
[M+NH4]+ 238.11054 153.1
[M+K]+ 259.03988 147.0
[M-H]- 219.06944 141.2
[M+Na-2H]- 241.05139 150.8
[M]+ 220.07617 146.0
[M]- 220.07727 146.0
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

patents stripe