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]+ 196.108046 141.9
[M+Na]+ 218.089988 150.2
[M-H]- 194.093494 143.6
[M+NH4]+ 213.134593 159.4
[M+K]+ 234.063928 147.6
[M+H-H2O]+ 178.098030 135.1
[M+HCOO]- 240.098971 166.3
[M+CH3COO]- 254.114621 187.4
[M+Na-2H]- 216.075436 148.0
[M]+ 195.10022142 142.1
[M]- 195.10131858 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

literature stripe

Patent stripe

No patent data available for this compound.