CID 58684905

3-(2,2-difluoroethoxy)propan-1-amine

Structural Information

Molecular Formula
C5H11F2NO
SMILES
C(CN)COCC(F)F
InChI
InChI=1S/C5H11F2NO/c6-5(7)4-9-3-1-2-8/h5H,1-4,8H2
InChIKey
PAIAKZWTKUUVHN-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.08087 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08815 127.0
[M+Na]+ 162.07009 133.5
[M-H]- 138.07359 124.0
[M+NH4]+ 157.11469 148.0
[M+K]+ 178.04403 133.2
[M+H-H2O]+ 122.07813 120.2
[M+HCOO]- 184.07907 148.5
[M+CH3COO]- 198.09472 176.5
[M+Na-2H]- 160.05554 131.2
[M]+ 139.08032 124.3
[M]- 139.08142 124.3
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