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

20
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 122.3
[M+Na]+ 148.05444 129.2
[M-H]- 124.05794 119.5
[M+NH4]+ 143.09904 143.9
[M+K]+ 164.02838 129.2
[M+H-H2O]+ 108.06248 115.7
[M+HCOO]- 170.06342 144.2
[M+CH3COO]- 184.07907 173.5
[M+Na-2H]- 146.03989 127.1
[M]+ 125.06467 119.3
[M]- 125.06577 119.3
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