CID 3471454

122023-84-1

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CC1=NNC(=O)C1CCC(=O)NN
InChI
InChI=1S/C7H12N4O2/c1-4-5(7(13)11-10-4)2-3-6(12)9-8/h5H,2-3,8H2,1H3,(H,9,12)(H,11,13)
InChIKey
VBGJEBWJNPXDRF-UHFFFAOYSA-N
Compound name
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10330 139.7
[M+Na]+ 207.08524 146.8
[M-H]- 183.08874 139.2
[M+NH4]+ 202.12984 157.3
[M+K]+ 223.05918 144.6
[M+H-H2O]+ 167.09328 132.5
[M+HCOO]- 229.09422 161.3
[M+CH3COO]- 243.10987 182.8
[M+Na-2H]- 205.07069 142.2
[M]+ 184.09547 136.2
[M]- 184.09657 136.2
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.