CID 145915645

2402829-21-2

Structural Information

Molecular Formula
C8H10NO3P
SMILES
CP(=O)(C)C1=CN=CC(=C1)C(=O)O
InChI
InChI=1S/C8H10NO3P/c1-13(2,12)7-3-6(8(10)11)4-9-5-7/h3-5H,1-2H3,(H,10,11)
InChIKey
IWQZCFUDCQKEGV-UHFFFAOYSA-N
Compound name
5-dimethylphosphorylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03983 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04711 141.9
[M+Na]+ 222.02905 150.2
[M-H]- 198.03255 142.2
[M+NH4]+ 217.07365 159.8
[M+K]+ 238.00299 148.8
[M+H-H2O]+ 182.03709 133.9
[M+HCOO]- 244.03803 167.6
[M+CH3COO]- 258.05368 181.9
[M+Na-2H]- 220.01450 145.2
[M]+ 199.03928 143.6
[M]- 199.04038 143.6
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.