CID 114782804

3-(difluoromethoxy)cyclobutan-1-amine

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CC1OC(F)F)N
InChI
InChI=1S/C5H9F2NO/c6-5(7)9-4-1-3(8)2-4/h3-5H,1-2,8H2
InChIKey
XCETWYZHGSROBO-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

137.06522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 125.8
[M+Na]+ 160.054438 131.4
[M-H]- 136.057944 126.4
[M+NH4]+ 155.099043 140.4
[M+K]+ 176.028378 134.1
[M+H-H2O]+ 120.062480 113.8
[M+HCOO]- 182.063421 145.6
[M+CH3COO]- 196.079071 179.1
[M+Na-2H]- 158.039886 128.9
[M]+ 137.06467142 129.4
[M]- 137.06576858 129.4
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