CID 135765078

Pyridoxal, dimethylhydrazone, 5-(dihydrogen phosphate)

Structural Information

Molecular Formula
C10H16N3O5P
SMILES
CC1=NC=C(C(=C1O)/C=N/N(C)C)COP(=O)(O)O
InChI
InChI=1S/C10H16N3O5P/c1-7-10(14)9(5-12-13(2)3)8(4-11-7)6-18-19(15,16)17/h4-5,14H,6H2,1-3H3,(H2,15,16,17)/b12-5+
InChIKey
DGMDOFHSBUWSMK-LFYBBSHMSA-N
Compound name
[4-[(E)-(dimethylhydrazinylidene)methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08276 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09004 163.1
[M+Na]+ 312.07198 170.0
[M-H]- 288.07548 163.6
[M+NH4]+ 307.11658 176.9
[M+K]+ 328.04592 169.6
[M+H-H2O]+ 272.08002 153.7
[M+HCOO]- 334.08096 190.4
[M+CH3COO]- 348.09661 204.7
[M+Na-2H]- 310.05743 165.3
[M]+ 289.08221 167.2
[M]- 289.08331 167.2
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.