CID 70207388

217096-42-9

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1[C@H]([C@@H](CN1)C(F)(F)F)CO
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h4-5,10-11H,1-3H2/t4-,5+/m0/s1
InChIKey
FTCZDLFPXLYLEE-CRCLSJGQSA-N
Compound name
[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07872 132.5
[M+Na]+ 192.06066 139.6
[M-H]- 168.06416 127.8
[M+NH4]+ 187.10526 152.0
[M+K]+ 208.03460 136.9
[M+H-H2O]+ 152.06870 125.0
[M+HCOO]- 214.06964 146.9
[M+CH3COO]- 228.08529 171.6
[M+Na-2H]- 190.04611 135.2
[M]+ 169.07089 123.4
[M]- 169.07199 123.4
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