CID 43559

Antibiotic xk 90

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)NNC1=CC(=C(C=C1)O)C=O
InChI
InChI=1S/C9H10N2O3/c1-6(13)10-11-8-2-3-9(14)7(4-8)5-12/h2-5,11,14H,1H3,(H,10,13)
InChIKey
YDBZUOZFGKBIBT-UHFFFAOYSA-N
Compound name
N'-(3-formyl-4-hydroxyphenyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.1
[M+Na]+ 217.05836 146.4
[M-H]- 193.06186 142.0
[M+NH4]+ 212.10296 157.4
[M+K]+ 233.03230 144.4
[M+H-H2O]+ 177.06640 132.9
[M+HCOO]- 239.06734 164.2
[M+CH3COO]- 253.08299 185.7
[M+Na-2H]- 215.04381 144.7
[M]+ 194.06859 138.5
[M]- 194.06969 138.5
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

patents stripe