CID 50896592

1-(3,3,3-trifluoropropyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C6H8F3N3
SMILES
C1=CN(N=C1N)CCC(F)(F)F
InChI
InChI=1S/C6H8F3N3/c7-6(8,9)2-4-12-3-1-5(10)11-12/h1,3H,2,4H2,(H2,10,11)
InChIKey
ZKJJVMJNPSUARF-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoropropyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

179.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.074306 132.4
[M+Na]+ 202.056248 141.7
[M-H]- 178.059754 129.4
[M+NH4]+ 197.100853 151.3
[M+K]+ 218.030188 139.3
[M+H-H2O]+ 162.064290 123.2
[M+HCOO]- 224.065231 151.7
[M+CH3COO]- 238.080881 180.9
[M+Na-2H]- 200.041696 137.4
[M]+ 179.06648142 127.5
[M]- 179.06757858 127.5
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