CID 466903

Isopropyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC(C)OC(=O)N1C(C=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C14H14N2O2/c1-10(2)18-14(17)16-12(9-15)8-7-11-5-3-4-6-13(11)16/h3-8,10,12H,1-2H3
InChIKey
DHLVHJZEMFSAJL-UHFFFAOYSA-N
Compound name
propan-2-yl 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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 156.0
[M+Na]+ 265.09475 165.4
[M-H]- 241.09825 158.1
[M+NH4]+ 260.13935 171.4
[M+K]+ 281.06869 160.9
[M+H-H2O]+ 225.10279 142.3
[M+HCOO]- 287.10373 171.3
[M+CH3COO]- 301.11938 204.8
[M+Na-2H]- 263.08020 159.5
[M]+ 242.10498 151.6
[M]- 242.10608 151.6
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.