CID 331470

73843-58-0

Structural Information

Molecular Formula
C14H11N3O3
SMILES
COC1=CC=CC=C1C2C(C(=O)NC(=O)C2C#N)C#N
InChI
InChI=1S/C14H11N3O3/c1-20-11-5-3-2-4-8(11)12-9(6-15)13(18)17-14(19)10(12)7-16/h2-5,9-10,12H,1H3,(H,17,18,19)
InChIKey
FXXFRXLSZLHJFI-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 165.9
[M+Na]+ 292.06927 175.8
[M-H]- 268.07277 168.9
[M+NH4]+ 287.11387 175.2
[M+K]+ 308.04321 170.6
[M+H-H2O]+ 252.07731 149.9
[M+HCOO]- 314.07825 174.9
[M+CH3COO]- 328.09390 223.7
[M+Na-2H]- 290.05472 165.3
[M]+ 269.07950 156.2
[M]- 269.08060 156.2
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

No patent data available for this compound.