CID 105427899

1902951-20-5

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1[C@H]([C@@H](CC1(F)F)O)N
InChI
InChI=1S/C5H9F2NO/c6-5(7)1-3(8)4(9)2-5/h3-4,9H,1-2,8H2/t3-,4-/m1/s1
InChIKey
CIDGQJFAPODFAK-QWWZWVQMSA-N
Compound name
trans-(1R,2R)-2-amino-4,4-difluorocyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 122.5
[M+Na]+ 160.054438 131.0
[M-H]- 136.057944 122.2
[M+NH4]+ 155.099043 147.0
[M+K]+ 176.028378 129.1
[M+H-H2O]+ 120.062480 117.3
[M+HCOO]- 182.063421 143.1
[M+CH3COO]- 196.079071 170.9
[M+Na-2H]- 158.039886 126.2
[M]+ 137.06467142 115.2
[M]- 137.06576858 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

patents stripe