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]+ 243.112806 156.0
[M+Na]+ 265.094748 165.4
[M-H]- 241.098254 158.1
[M+NH4]+ 260.139353 171.4
[M+K]+ 281.068688 160.9
[M+H-H2O]+ 225.102790 142.3
[M+HCOO]- 287.103731 171.3
[M+CH3COO]- 301.119381 204.8
[M+Na-2H]- 263.080196 159.5
[M]+ 242.10498142 151.6
[M]- 242.10607858 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.