CID 54592868

3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1CN(C(=O)C1N)CC(F)(F)F
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)3-11-2-1-4(10)5(11)12/h4H,1-3,10H2
InChIKey
TWVHINYORFLENM-UHFFFAOYSA-N
Compound name
3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

182.0667 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 133.7
[M+Na]+ 205.05592 142.0
[M-H]- 181.05942 131.7
[M+NH4]+ 200.10052 153.7
[M+K]+ 221.02986 140.0
[M+H-H2O]+ 165.06396 125.7
[M+HCOO]- 227.06490 151.7
[M+CH3COO]- 241.08055 181.2
[M+Na-2H]- 203.04137 136.1
[M]+ 182.06615 126.3
[M]- 182.06725 126.3
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