CID 135471153

1h-pyrazole-1-carboximidamide, 3,5-dimethyl-n-nitro-

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CC1=CC(=NN1C(=N)N[N+](=O)[O-])C
InChI
InChI=1S/C6H9N5O2/c1-4-3-5(2)10(8-4)6(7)9-11(12)13/h3H,1-2H3,(H2,7,9)
InChIKey
YJQYMUPERFRTJO-UHFFFAOYSA-N
Compound name
3,5-dimethyl-N-nitropyrazole-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

183.07562 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 134.8
[M+Na]+ 206.064838 142.3
[M-H]- 182.068344 136.9
[M+NH4]+ 201.109443 152.7
[M+K]+ 222.038778 137.2
[M+H-H2O]+ 166.072880 132.1
[M+HCOO]- 228.073821 160.9
[M+CH3COO]- 242.089471 179.1
[M+Na-2H]- 204.050286 142.3
[M]+ 183.07507142 131.6
[M]- 183.07616858 131.6
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