CID 50990624

3-(trifluoromethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1CNCC1(C(F)(F)F)O
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-2-9-3-4/h9-10H,1-3H2
InChIKey
PLQLGPQFZLVKTF-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

155.0558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 127.6
[M+Na]+ 178.045018 135.2
[M-H]- 154.048524 123.2
[M+NH4]+ 173.089623 149.4
[M+K]+ 194.018958 133.0
[M+H-H2O]+ 138.053060 121.1
[M+HCOO]- 200.054001 142.5
[M+CH3COO]- 214.069651 167.0
[M+Na-2H]- 176.030466 132.8
[M]+ 155.05525142 118.2
[M]- 155.05634858 118.2
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