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]+ 138.07250 119.3
[M+Na]+ 160.05444 130.1
[M-H]- 136.05794 120.6
[M+NH4]+ 155.09904 137.4
[M+K]+ 176.02838 127.6
[M+H-H2O]+ 120.06248 113.9
[M+HCOO]- 182.06342 140.5
[M+CH3COO]- 196.07907 176.9
[M+Na-2H]- 158.03989 125.3
[M]+ 137.06467 118.3
[M]- 137.06577 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.