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]+ 157.072006 128.0
[M+Na]+ 179.053948 136.7
[M-H]- 155.057454 129.5
[M+NH4]+ 174.098553 147.1
[M+K]+ 195.027888 131.6
[M+H-H2O]+ 139.061990 125.7
[M+HCOO]- 201.062931 153.6
[M+CH3COO]- 215.078581 172.2
[M+Na-2H]- 177.039396 135.6
[M]+ 156.06418142 125.8
[M]- 156.06527858 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.