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

211
Patents

155.0558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 127.6
[M+Na]+ 178.04502 135.2
[M-H]- 154.04852 123.2
[M+NH4]+ 173.08962 149.4
[M+K]+ 194.01896 133.0
[M+H-H2O]+ 138.05306 121.1
[M+HCOO]- 200.05400 142.5
[M+CH3COO]- 214.06965 167.0
[M+Na-2H]- 176.03047 132.8
[M]+ 155.05525 118.2
[M]- 155.05635 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