CID 75488618

3-(difluoromethoxy)propan-1-amine

Structural Information

Molecular Formula
C4H9F2NO
SMILES
C(CN)COC(F)F
InChI
InChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2
InChIKey
NGOXWLLNLLNQFF-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

125.06522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 123.7
[M+Na]+ 148.05444 131.2
[M+NH4]+ 143.09904 130.1
[M+K]+ 164.02838 126.8
[M-H]- 124.05794 120.6
[M+Na-2H]- 146.03989 126.2
[M]+ 125.06467 123.3
[M]- 125.06577 123.3
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