CID 117588049

2448484-76-0

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1CC1(COC(F)(F)F)N
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)10-3-4(9)1-2-4/h1-3,9H2
InChIKey
JXGMMKXJPLUUFR-UHFFFAOYSA-N
Compound name
1-(trifluoromethoxymethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0558 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 122.8
[M+Na]+ 178.045018 132.5
[M-H]- 154.048524 123.6
[M+NH4]+ 173.089623 140.3
[M+K]+ 194.018958 131.2
[M+H-H2O]+ 138.053060 116.1
[M+HCOO]- 200.054001 143.0
[M+CH3COO]- 214.069651 179.6
[M+Na-2H]- 176.030466 130.5
[M]+ 155.05525142 120.9
[M]- 155.05634858 120.9
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

No patent data available for this compound.