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 125.4
[M+Na]+ 160.05444 132.2
[M-H]- 136.05794 122.1
[M+NH4]+ 155.09904 147.8
[M+K]+ 176.02838 130.4
[M+H-H2O]+ 120.06248 119.1
[M+HCOO]- 182.06342 141.9
[M+CH3COO]- 196.07907 165.3
[M+Na-2H]- 158.03989 129.1
[M]+ 137.06467 117.1
[M]- 137.06577 117.1
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