CID 19002201

151521-49-2

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(C)C1=C(NN=C1)N
InChI
InChI=1S/C6H11N3/c1-4(2)5-3-8-9-6(5)7/h3-4H,1-2H3,(H3,7,8,9)
InChIKey
UQTLFNBARWAWIS-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

125.0953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 126.4
[M+Na]+ 148.084518 134.5
[M-H]- 124.088024 126.0
[M+NH4]+ 143.129123 146.8
[M+K]+ 164.058458 132.6
[M+H-H2O]+ 108.092560 119.8
[M+HCOO]- 170.093501 148.0
[M+CH3COO]- 184.109151 171.2
[M+Na-2H]- 146.069966 130.7
[M]+ 125.09475142 123.0
[M]- 125.09584858 123.0
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