CID 786267

16459-47-5

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC1=NN(C(=C1)N)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3
InChIKey
TVXCGEBTCKIPNH-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-nitrophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

218.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 144.2
[M+Na]+ 241.069588 152.7
[M-H]- 217.073094 149.0
[M+NH4]+ 236.114193 160.6
[M+K]+ 257.043528 145.5
[M+H-H2O]+ 201.077630 140.6
[M+HCOO]- 263.078571 169.6
[M+CH3COO]- 277.094221 184.1
[M+Na-2H]- 239.055036 151.0
[M]+ 218.07982142 141.7
[M]- 218.08091858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe