CID 302493

5-amino-4-nitroso-1,2-dihydro-3h-pyrazol-3-one

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C1(=C(NNC1=O)N)N=O
InChI
InChI=1S/C3H4N4O2/c4-2-1(7-9)3(8)6-5-2/h(H4,4,5,6,8)
InChIKey
OCVMLGUFXZCXMQ-UHFFFAOYSA-N
Compound name
5-amino-4-nitroso-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.03343 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04071 119.4
[M+Na]+ 151.02265 129.4
[M-H]- 127.02615 119.8
[M+NH4]+ 146.06725 139.3
[M+K]+ 166.99659 127.3
[M+H-H2O]+ 111.03069 112.8
[M+HCOO]- 173.03163 144.8
[M+CH3COO]- 187.04728 170.1
[M+Na-2H]- 149.00810 126.2
[M]+ 128.03288 116.6
[M]- 128.03398 116.6
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

patents stripe