CID 117588049

1-(trifluoromethoxymethyl)cyclopropanamine hydrochloride

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]+ 156.06308 122.8
[M+Na]+ 178.04502 132.5
[M-H]- 154.04852 123.6
[M+NH4]+ 173.08962 140.3
[M+K]+ 194.01896 131.2
[M+H-H2O]+ 138.05306 116.1
[M+HCOO]- 200.05400 143.0
[M+CH3COO]- 214.06965 179.6
[M+Na-2H]- 176.03047 130.5
[M]+ 155.05525 120.9
[M]- 155.05635 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.