CID 165437905

159397-67-8

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C([C@@H]1[C@@H](C1(F)F)CO)N
InChI
InChI=1S/C5H9F2NO/c6-5(7)3(1-8)4(5)2-9/h3-4,9H,1-2,8H2/t3-,4+/m1/s1
InChIKey
PTLIILIHPBWZPX-DMTCNVIQSA-N
Compound name
[(1R,3S)-3-(aminomethyl)-2,2-difluorocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 119.3
[M+Na]+ 160.054438 130.1
[M-H]- 136.057944 120.6
[M+NH4]+ 155.099043 137.4
[M+K]+ 176.028378 127.6
[M+H-H2O]+ 120.062480 113.9
[M+HCOO]- 182.063421 140.5
[M+CH3COO]- 196.079071 176.9
[M+Na-2H]- 158.039886 125.3
[M]+ 137.06467142 118.3
[M]- 137.06576858 118.3
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.