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

5
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 125.4
[M+Na]+ 160.054438 132.2
[M-H]- 136.057944 122.1
[M+NH4]+ 155.099043 147.8
[M+K]+ 176.028378 130.4
[M+H-H2O]+ 120.062480 119.1
[M+HCOO]- 182.063421 141.9
[M+CH3COO]- 196.079071 165.3
[M+Na-2H]- 158.039886 129.1
[M]+ 137.06467142 117.1
[M]- 137.06576858 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