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]+ 129.040706 119.4
[M+Na]+ 151.022648 129.4
[M-H]- 127.026154 119.8
[M+NH4]+ 146.067253 139.3
[M+K]+ 166.996588 127.3
[M+H-H2O]+ 111.030690 112.8
[M+HCOO]- 173.031631 144.8
[M+CH3COO]- 187.047281 170.1
[M+Na-2H]- 149.008096 126.2
[M]+ 128.03288142 116.6
[M]- 128.03397858 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