CID 487264

3-pyridazinepropanoic acid, 1,4,5,6-tetrahydro-6-oxo-, 2-(1-methylethylidene)hydrazide

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(=NNC(=O)CCC1=NNC(=O)CC1)C
InChI
InChI=1S/C10H16N4O2/c1-7(2)11-13-9(15)5-3-8-4-6-10(16)14-12-8/h3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
XAGAYMFKJQOBNM-UHFFFAOYSA-N
Compound name
3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(propan-2-ylideneamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 151.9
[M+Na]+ 247.11654 156.4
[M-H]- 223.12004 152.1
[M+NH4]+ 242.16114 166.5
[M+K]+ 263.09048 154.6
[M+H-H2O]+ 207.12458 143.6
[M+HCOO]- 269.12552 171.7
[M+CH3COO]- 283.14117 193.4
[M+Na-2H]- 245.10199 155.3
[M]+ 224.12677 148.5
[M]- 224.12787 148.5
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.