CID 135765037

Pyridoxal, methylhydrazone

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1=NC=C(C(=C1O)/C=N/NC)CO
InChI
InChI=1S/C9H13N3O2/c1-6-9(14)8(4-12-10-2)7(5-13)3-11-6/h3-4,10,13-14H,5H2,1-2H3/b12-4+
InChIKey
VXKXGHUHOKLXDU-UUILKARUSA-N
Compound name
5-(hydroxymethyl)-2-methyl-4-[(E)-(methylhydrazinylidene)methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 141.9
[M+Na]+ 218.08999 150.2
[M-H]- 194.09349 143.6
[M+NH4]+ 213.13459 159.4
[M+K]+ 234.06393 147.6
[M+H-H2O]+ 178.09803 135.1
[M+HCOO]- 240.09897 166.3
[M+CH3COO]- 254.11462 187.4
[M+Na-2H]- 216.07544 148.0
[M]+ 195.10022 142.1
[M]- 195.10132 142.1
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.