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]+ 185.103296 139.7
[M+Na]+ 207.085238 146.8
[M-H]- 183.088744 139.2
[M+NH4]+ 202.129843 157.3
[M+K]+ 223.059178 144.6
[M+H-H2O]+ 167.093280 132.5
[M+HCOO]- 229.094221 161.3
[M+CH3COO]- 243.109871 182.8
[M+Na-2H]- 205.070686 142.2
[M]+ 184.09547142 136.2
[M]- 184.09656858 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.