CID 466899

Propyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CCCOC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C14H14N2O2/c1-2-9-18-14(17)16-12(10-15)8-7-11-5-3-4-6-13(11)16/h3-8,12H,2,9H2,1H3
InChIKey
GZVUYTZZFJJPEB-UHFFFAOYSA-N
Compound name
propyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 155.0
[M+Na]+ 265.09475 164.7
[M-H]- 241.09825 157.0
[M+NH4]+ 260.13935 170.4
[M+K]+ 281.06869 159.8
[M+H-H2O]+ 225.10279 141.2
[M+HCOO]- 287.10373 171.3
[M+CH3COO]- 301.11938 204.0
[M+Na-2H]- 263.08020 159.6
[M]+ 242.10498 151.1
[M]- 242.10608 151.1
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

No patent data available for this compound.