CID 83383272

2-formylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H6N2O
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C=O)C#N
InChI
InChI=1S/C11H6N2O/c12-6-9-5-8-3-1-2-4-10(8)13-11(9)7-14/h1-5,7H
InChIKey
RNGODDOJHMHYKD-UHFFFAOYSA-N
Compound name
2-formylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.04802 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05530 138.5
[M+Na]+ 205.03724 150.7
[M-H]- 181.04074 141.2
[M+NH4]+ 200.08184 156.3
[M+K]+ 221.01118 145.2
[M+H-H2O]+ 165.04528 125.3
[M+HCOO]- 227.04622 157.7
[M+CH3COO]- 241.06187 150.8
[M+Na-2H]- 203.02269 146.6
[M]+ 182.04747 134.5
[M]- 182.04857 134.5
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