CID 13450484

N,n-dimethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C5H9N3
SMILES
CN(C)C1=CNN=C1
InChI
InChI=1S/C5H9N3/c1-8(2)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKey
GEYCAYZYEXEBQG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

111.07965 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 120.8
[M+Na]+ 134.068868 128.7
[M-H]- 110.072374 122.0
[M+NH4]+ 129.113473 142.3
[M+K]+ 150.042808 128.4
[M+H-H2O]+ 94.076910 113.7
[M+HCOO]- 156.077851 144.8
[M+CH3COO]- 170.093501 170.4
[M+Na-2H]- 132.054316 127.9
[M]+ 111.07910142 119.6
[M]- 111.08019858 119.6
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