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

22
Patents

179.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07431 132.4
[M+Na]+ 202.05625 141.7
[M-H]- 178.05975 129.4
[M+NH4]+ 197.10085 151.3
[M+K]+ 218.03019 139.3
[M+H-H2O]+ 162.06429 123.2
[M+HCOO]- 224.06523 151.7
[M+CH3COO]- 238.08088 180.9
[M+Na-2H]- 200.04170 137.4
[M]+ 179.06648 127.5
[M]- 179.06758 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