CID 2735324

76689-64-0

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CC1=NN(C(=C1[N+](=O)[O-])N)C
InChI
InChI=1S/C5H8N4O2/c1-3-4(9(10)11)5(6)8(2)7-3/h6H2,1-2H3
InChIKey
BSUSGJKEVOQESO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-nitropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

156.06473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 127.9
[M+Na]+ 179.05395 137.6
[M-H]- 155.05745 129.9
[M+NH4]+ 174.09855 147.4
[M+K]+ 195.02789 132.5
[M+H-H2O]+ 139.06199 126.1
[M+HCOO]- 201.06293 153.6
[M+CH3COO]- 215.07858 173.3
[M+Na-2H]- 177.03940 134.9
[M]+ 156.06418 126.1
[M]- 156.06528 126.1
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