CID 86689818

Refchem:874422

Structural Information

Molecular Formula
C6H8FN3
SMILES
C1[C@H]([C@H]1F)C2=CC(=NN2)N
InChI
InChI=1S/C6H8FN3/c7-4-1-3(4)5-2-6(8)10-9-5/h2-4H,1H2,(H3,8,9,10)/t3-,4+/m1/s1
InChIKey
LMYIQELFORXUQE-DMTCNVIQSA-N
Compound name
5-[(1S,2S)-2-fluorocyclopropyl]-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.07022 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.077496 126.1
[M+Na]+ 164.059438 137.3
[M-H]- 140.062944 128.7
[M+NH4]+ 159.104043 141.1
[M+K]+ 180.033378 132.4
[M+H-H2O]+ 124.067480 118.3
[M+HCOO]- 186.068421 148.1
[M+CH3COO]- 200.084071 176.4
[M+Na-2H]- 162.044886 130.8
[M]+ 141.06967142 124.0
[M]- 141.07076858 124.0
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