CID 69967421

4-chloro-2-pentylquinoline

Structural Information

Molecular Formula
C14H16ClN
SMILES
CCCCCC1=NC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C14H16ClN/c1-2-3-4-7-11-10-13(15)12-8-5-6-9-14(12)16-11/h5-6,8-10H,2-4,7H2,1H3
InChIKey
ZTNBKAOWBPCKSA-UHFFFAOYSA-N
Compound name
4-chloro-2-pentylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.09712 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10440 151.6
[M+Na]+ 256.08634 161.0
[M-H]- 232.08984 154.3
[M+NH4]+ 251.13094 170.5
[M+K]+ 272.06028 155.0
[M+H-H2O]+ 216.09438 144.9
[M+HCOO]- 278.09532 168.4
[M+CH3COO]- 292.11097 192.5
[M+Na-2H]- 254.07179 158.4
[M]+ 233.09657 155.2
[M]- 233.09767 155.2
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

patents stripe