CID 17039653

930570-37-9

Structural Information

Molecular Formula
C13H11ClN2
SMILES
CCCC1=CC(=C2C=C(C=CC2=N1)C#N)Cl
InChI
InChI=1S/C13H11ClN2/c1-2-3-10-7-12(14)11-6-9(8-15)4-5-13(11)16-10/h4-7H,2-3H2,1H3
InChIKey
JGKHGULLFTVYKX-UHFFFAOYSA-N
Compound name
4-chloro-2-propylquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.068356 150.0
[M+Na]+ 253.050298 162.9
[M-H]- 229.053804 152.6
[M+NH4]+ 248.094903 167.3
[M+K]+ 269.024238 155.4
[M+H-H2O]+ 213.058340 137.5
[M+HCOO]- 275.059281 164.2
[M+CH3COO]- 289.074931 161.6
[M+Na-2H]- 251.035746 156.1
[M]+ 230.06053142 148.2
[M]- 230.06162858 148.2
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.