CID 13401971

N-(azetidin-3-yl)-2,2,2-trifluoroacetamide hydrochloride

Structural Information

Molecular Formula
C5H7F3N2O
SMILES
C1C(CN1)NC(=O)C(F)(F)F
InChI
InChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)
InChIKey
BIRMYAUDHMGEME-UHFFFAOYSA-N
Compound name
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

168.05104 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05832 134.0
[M+Na]+ 191.04026 139.1
[M-H]- 167.04376 130.9
[M+NH4]+ 186.08486 145.4
[M+K]+ 207.01420 140.6
[M+H-H2O]+ 151.04830 120.5
[M+HCOO]- 213.04924 149.3
[M+CH3COO]- 227.06489 179.5
[M+Na-2H]- 189.02571 138.2
[M]+ 168.05049 134.3
[M]- 168.05159 134.3
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