CID 21810045

1-(2,2,2-trifluoroethyl)pyrrolidine

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CCN(C1)CC(F)(F)F
InChI
InChI=1S/C6H10F3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2
InChIKey
AWBHBKLZORKFQZ-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

153.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08382 128.7
[M+Na]+ 176.06576 135.7
[M-H]- 152.06926 126.5
[M+NH4]+ 171.11036 150.0
[M+K]+ 192.03970 134.5
[M+H-H2O]+ 136.07380 120.5
[M+HCOO]- 198.07474 145.9
[M+CH3COO]- 212.09039 173.9
[M+Na-2H]- 174.05121 132.9
[M]+ 153.07599 121.6
[M]- 153.07709 121.6
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