CID 155970961

2-(dimethylphosphoryl)pyridine-4-carbaldehyde

Structural Information

Molecular Formula
C8H10NO2P
SMILES
CP(=O)(C)C1=NC=CC(=C1)C=O
InChI
InChI=1S/C8H10NO2P/c1-12(2,11)8-5-7(6-10)3-4-9-8/h3-6H,1-2H3
InChIKey
KWBFDCLZOQDFGI-UHFFFAOYSA-N
Compound name
2-dimethylphosphorylpyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04492 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05220 138.3
[M+Na]+ 206.03414 147.4
[M-H]- 182.03764 139.9
[M+NH4]+ 201.07874 157.7
[M+K]+ 222.00808 145.8
[M+H-H2O]+ 166.04218 130.1
[M+HCOO]- 228.04312 166.2
[M+CH3COO]- 242.05877 181.6
[M+Na-2H]- 204.01959 143.1
[M]+ 183.04437 141.1
[M]- 183.04547 141.1
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.