CID 71756932

3-(difluoromethyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1CNCC1(C(F)F)O
InChI
InChI=1S/C5H9F2NO/c6-4(7)5(9)1-2-8-3-5/h4,8-9H,1-3H2
InChIKey
GPBFMCNKIWWMOE-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 129.0
[M+Na]+ 160.05444 135.8
[M+NH4]+ 155.09904 136.7
[M+K]+ 176.02838 131.8
[M-H]- 136.05794 125.4
[M+Na-2H]- 158.03989 132.3
[M]+ 137.06467 128.5
[M]- 137.06577 128.5
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