CID 10954178

[(2r)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1C[C@@H](N(C1)CC(F)(F)F)CO
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-2-6(11)4-12/h6,12H,1-5H2/t6-/m1/s1
InChIKey
DWDSSOCFCNITEP-ZCFIWIBFSA-N
Compound name
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

183.0871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 136.5
[M+Na]+ 206.07632 143.7
[M-H]- 182.07982 133.1
[M+NH4]+ 201.12092 156.2
[M+K]+ 222.05026 141.7
[M+H-H2O]+ 166.08436 128.7
[M+HCOO]- 228.08530 152.2
[M+CH3COO]- 242.10095 177.2
[M+Na-2H]- 204.06177 139.2
[M]+ 183.08655 129.8
[M]- 183.08765 129.8
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

No patent data available for this compound.