CID 3779818

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

Structural Information

Molecular Formula
C10H9ClN2
SMILES
C1CCC2=NC(=C(C=C2C1)C#N)Cl
InChI
InChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h5H,1-4H2
InChIKey
BWPSIGMJCQHAGB-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

68
Patents

192.04543 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.7
[M+Na]+ 215.03465 150.2
[M-H]- 191.03815 140.9
[M+NH4]+ 210.07925 157.0
[M+K]+ 231.00859 143.4
[M+H-H2O]+ 175.04269 126.6
[M+HCOO]- 237.04363 151.3
[M+CH3COO]- 251.05928 150.3
[M+Na-2H]- 213.02010 145.3
[M]+ 192.04488 133.1
[M]- 192.04598 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe