CID 63106845

1338954-50-9

Structural Information

Molecular Formula
C6H9N5O2
SMILES
C1=NNC(=C1N)C(=O)NCC(=O)N
InChI
InChI=1S/C6H9N5O2/c7-3-1-10-11-5(3)6(13)9-2-4(8)12/h1H,2,7H2,(H2,8,12)(H,9,13)(H,10,11)
InChIKey
IPDTUHOHLLCEQV-UHFFFAOYSA-N
Compound name
4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07562 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08290 136.9
[M+Na]+ 206.06484 143.2
[M-H]- 182.06834 136.2
[M+NH4]+ 201.10944 153.5
[M+K]+ 222.03878 141.4
[M+H-H2O]+ 166.07288 129.0
[M+HCOO]- 228.07382 159.7
[M+CH3COO]- 242.08947 184.0
[M+Na-2H]- 204.05029 139.9
[M]+ 183.07507 131.7
[M]- 183.07617 131.7
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.