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

3
Patents

123.07965 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.9
[M+Na]+ 146.068868 132.9
[M-H]- 122.072374 124.7
[M+NH4]+ 141.113473 145.0
[M+K]+ 162.042808 130.9
[M+H-H2O]+ 106.076910 117.0
[M+HCOO]- 168.077851 148.2
[M+CH3COO]- 182.093501 172.1
[M+Na-2H]- 144.054316 129.9
[M]+ 123.07910142 122.3
[M]- 123.08019858 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