CID 67085452

1315593-71-5

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1[C@H](NCC1(F)F)CO
InChI
InChI=1S/C5H9F2NO/c6-5(7)1-4(2-9)8-3-5/h4,8-9H,1-3H2/t4-/m0/s1
InChIKey
STLGRNYDDKFZIR-BYPYZUCNSA-N
Compound name
[(2S)-4,4-difluoropyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

137.06522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 124.1
[M+Na]+ 160.05444 132.1
[M-H]- 136.05794 121.1
[M+NH4]+ 155.09904 146.9
[M+K]+ 176.02838 129.8
[M+H-H2O]+ 120.06248 118.1
[M+HCOO]- 182.06342 141.6
[M+CH3COO]- 196.07907 165.6
[M+Na-2H]- 158.03989 128.5
[M]+ 137.06467 116.9
[M]- 137.06577 116.9
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