CID 24695976

N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C7H11F3N2O
SMILES
C1CC(NC1)C(=O)NCC(F)(F)F
InChI
InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-2-1-3-11-5/h5,11H,1-4H2,(H,12,13)
InChIKey
VWCPYIDHTYVSNM-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.08235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08963 139.2
[M+Na]+ 219.07157 144.6
[M-H]- 195.07507 135.5
[M+NH4]+ 214.11617 157.6
[M+K]+ 235.04551 142.4
[M+H-H2O]+ 179.07961 130.7
[M+HCOO]- 241.08055 155.1
[M+CH3COO]- 255.09620 180.1
[M+Na-2H]- 217.05702 141.8
[M]+ 196.08180 129.9
[M]- 196.08290 129.9
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