CID 57416911

2225147-27-1

Structural Information

Molecular Formula
C6H9N3
SMILES
C=CCN1C=C(C=N1)N
InChI
InChI=1S/C6H9N3/c1-2-3-9-5-6(7)4-8-9/h2,4-5H,1,3,7H2
InChIKey
HICFDFBJQDRFIF-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

123.07965 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.9
[M+Na]+ 146.06887 132.9
[M-H]- 122.07237 124.7
[M+NH4]+ 141.11347 145.0
[M+K]+ 162.04281 130.9
[M+H-H2O]+ 106.07691 117.0
[M+HCOO]- 168.07785 148.2
[M+CH3COO]- 182.09350 172.1
[M+Na-2H]- 144.05432 129.9
[M]+ 123.07910 122.3
[M]- 123.08020 122.3
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

patents stripe