CID 177801390

1-(aminomethyl)-2,2-difluorocyclopropyl acetate hydrochloride

Structural Information

Molecular Formula
C6H9F2NO2
SMILES
CC(=O)OC1(CC1(F)F)CN
InChI
InChI=1S/C6H9F2NO2/c1-4(10)11-5(3-9)2-6(5,7)8/h2-3,9H2,1H3
InChIKey
CHHYMXCWEXCDOO-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-2,2-difluorocyclopropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06013 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.067406 127.5
[M+Na]+ 188.049348 138.2
[M-H]- 164.052854 130.1
[M+NH4]+ 183.093953 146.7
[M+K]+ 204.023288 137.5
[M+H-H2O]+ 148.057390 122.9
[M+HCOO]- 210.058331 148.9
[M+CH3COO]- 224.073981 182.2
[M+Na-2H]- 186.034796 133.9
[M]+ 165.05958142 128.8
[M]- 165.06067858 128.8
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.