CID 134249504

[(3s)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1CN(C[C@H]1CO)CC(F)F
InChI
InChI=1S/C7H13F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h6-7,11H,1-5H2/t6-/m0/s1
InChIKey
HBJUMKGOIISMBX-LURJTMIESA-N
Compound name
[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.09653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 134.1
[M+Na]+ 188.085748 140.5
[M-H]- 164.089254 131.8
[M+NH4]+ 183.130353 154.4
[M+K]+ 204.059688 138.9
[M+H-H2O]+ 148.093790 126.6
[M+HCOO]- 210.094731 151.4
[M+CH3COO]- 224.110381 175.6
[M+Na-2H]- 186.071196 135.4
[M]+ 165.09598142 128.5
[M]- 165.09707858 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