CID 114782806

3-(difluoromethoxy)-3-methylazetidine

Structural Information

Molecular Formula
C5H9F2NO
SMILES
CC1(CNC1)OC(F)F
InChI
InChI=1S/C5H9F2NO/c1-5(2-8-3-5)9-4(6)7/h4,8H,2-3H2,1H3
InChIKey
GGCUHTLRZLTIEK-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072496 127.0
[M+Na]+ 160.054438 133.2
[M-H]- 136.057944 125.4
[M+NH4]+ 155.099043 142.0
[M+K]+ 176.028378 135.3
[M+H-H2O]+ 120.062480 116.0
[M+HCOO]- 182.063421 143.8
[M+CH3COO]- 196.079071 173.6
[M+Na-2H]- 158.039886 132.3
[M]+ 137.06467142 131.0
[M]- 137.06576858 131.0
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.