CID 137943596

2260931-77-7

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1CC([C@H]([C@@H]1N)O)(F)F
InChI
InChI=1S/C5H9F2NO/c6-5(7)2-1-3(8)4(5)9/h3-4,9H,1-2,8H2/t3-,4+/m1/s1
InChIKey
LKOLBBSQFPUWFC-DMTCNVIQSA-N
Compound name
(1S,5R)-5-amino-2,2-difluorocyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 122.5
[M+Na]+ 160.05444 131.0
[M-H]- 136.05794 122.2
[M+NH4]+ 155.09904 147.0
[M+K]+ 176.02838 129.1
[M+H-H2O]+ 120.06248 117.3
[M+HCOO]- 182.06342 143.1
[M+CH3COO]- 196.07907 170.9
[M+Na-2H]- 158.03989 126.2
[M]+ 137.06467 115.2
[M]- 137.06577 115.2
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

No patent data available for this compound.