CID 32213

1-aziridinepropionic acid, 2,2,2-trifluoroethyl ester

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1CN1CCC(=O)OCC(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)5-13-6(12)1-2-11-3-4-11/h1-5H2
InChIKey
WEAQYEJHSMJQFB-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 138.5
[M+Na]+ 220.05558 147.7
[M-H]- 196.05908 137.7
[M+NH4]+ 215.10018 151.7
[M+K]+ 236.02952 145.2
[M+H-H2O]+ 180.06362 129.4
[M+HCOO]- 242.06456 156.2
[M+CH3COO]- 256.08021 185.6
[M+Na-2H]- 218.04103 143.2
[M]+ 197.06581 139.0
[M]- 197.06691 139.0
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

No patent data available for this compound.