CID 86689818

Rac-5-((1r,2r)-2-fluorocyclopropyl)-1h-pyrazol-3-amine

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]+ 142.07750 126.1
[M+Na]+ 164.05944 137.3
[M-H]- 140.06294 128.7
[M+NH4]+ 159.10404 141.1
[M+K]+ 180.03338 132.4
[M+H-H2O]+ 124.06748 118.3
[M+HCOO]- 186.06842 148.1
[M+CH3COO]- 200.08407 176.4
[M+Na-2H]- 162.04489 130.8
[M]+ 141.06967 124.0
[M]- 141.07077 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