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

228
Patents

137.06522 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 124.1
[M+Na]+ 160.054438 132.1
[M-H]- 136.057944 121.1
[M+NH4]+ 155.099043 146.9
[M+K]+ 176.028378 129.8
[M+H-H2O]+ 120.062480 118.1
[M+HCOO]- 182.063421 141.6
[M+CH3COO]- 196.079071 165.6
[M+Na-2H]- 158.039886 128.5
[M]+ 137.06467142 116.9
[M]- 137.06576858 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