CID 135439993

2-hydroxy-3-methoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C9H11N3O3
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)N
InChI
InChI=1S/C9H11N3O3/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14/h2-5,13H,1H3,(H3,10,12,14)/b11-5+
InChIKey
AKOBNBQXPXQGHZ-VZUCSPMQSA-N
Compound name
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 142.9
[M+Na]+ 232.069268 149.8
[M-H]- 208.072774 146.6
[M+NH4]+ 227.113873 160.7
[M+K]+ 248.043208 148.4
[M+H-H2O]+ 192.077310 135.9
[M+HCOO]- 254.078251 169.9
[M+CH3COO]- 268.093901 192.2
[M+Na-2H]- 230.054716 148.2
[M]+ 209.07950142 142.3
[M]- 209.08059858 142.3
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.