CID 154869174

2503209-16-1

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CN1C=C(C(=N1)CN)[N+](=O)[O-]
InChI
InChI=1S/C5H8N4O2/c1-8-3-5(9(10)11)4(2-6)7-8/h3H,2,6H2,1H3
InChIKey
JROQBOLTXQIRRR-UHFFFAOYSA-N
Compound name
(1-methyl-4-nitropyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 128.0
[M+Na]+ 179.05395 136.7
[M-H]- 155.05745 129.5
[M+NH4]+ 174.09855 147.1
[M+K]+ 195.02789 131.6
[M+H-H2O]+ 139.06199 125.7
[M+HCOO]- 201.06293 153.6
[M+CH3COO]- 215.07858 172.2
[M+Na-2H]- 177.03940 135.6
[M]+ 156.06418 125.8
[M]- 156.06528 125.8
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

No patent data available for this compound.