CID 4431056

1147222-02-3

Structural Information

Molecular Formula
C5H9N3
SMILES
CC1=NN(C=C1N)C
InChI
InChI=1S/C5H9N3/c1-4-5(6)3-8(2)7-4/h3H,6H2,1-2H3
InChIKey
AXLKRXWNAFFPDB-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

111.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.4
[M+Na]+ 134.06887 131.8
[M+NH4]+ 129.11347 128.6
[M+K]+ 150.04281 128.5
[M-H]- 110.07237 121.4
[M+Na-2H]- 132.05432 126.2
[M]+ 111.07910 122.1
[M]- 111.08020 122.1
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