CID 64104040

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

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1C[C@H](N(C1)CC(F)F)CO
InChI
InChI=1S/C7H13F2NO/c8-7(9)4-10-3-1-2-6(10)5-11/h6-7,11H,1-5H2/t6-/m0/s1
InChIKey
GQZMHXIIQNHRCZ-LURJTMIESA-N
Compound name
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

165.09653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10381 134.1
[M+Na]+ 188.08575 140.5
[M-H]- 164.08925 131.8
[M+NH4]+ 183.13035 154.4
[M+K]+ 204.05969 138.9
[M+H-H2O]+ 148.09379 126.6
[M+HCOO]- 210.09473 151.4
[M+CH3COO]- 224.11038 175.6
[M+Na-2H]- 186.07120 135.4
[M]+ 165.09598 128.5
[M]- 165.09708 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