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]+ 184.08290 134.8
[M+Na]+ 206.06484 142.3
[M-H]- 182.06834 136.9
[M+NH4]+ 201.10944 152.7
[M+K]+ 222.03878 137.2
[M+H-H2O]+ 166.07288 132.1
[M+HCOO]- 228.07382 160.9
[M+CH3COO]- 242.08947 179.1
[M+Na-2H]- 204.05029 142.3
[M]+ 183.07507 131.6
[M]- 183.07617 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