CID 420423

2,5-dihydro-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula
C3H7N3
SMILES
C1C=C(NN1)N
InChI
InChI=1S/C3H7N3/c4-3-1-2-5-6-3/h1,5-6H,2,4H2
InChIKey
CWZRXXJJOCTIJA-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

85.063995 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.071271 114.8
[M+Na]+ 108.05321 121.9
[M-H]- 84.056719 112.5
[M+NH4]+ 103.09782 135.5
[M+K]+ 124.02715 119.7
[M+H-H2O]+ 68.061255 108.4
[M+HCOO]- 130.06220 135.3
[M+CH3COO]- 144.07785 157.9
[M+Na-2H]- 106.03866 121.0
[M]+ 85.063446 107.2
[M]- 85.064544 107.2
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