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]+ 138.07250 127.0
[M+Na]+ 160.05444 133.2
[M-H]- 136.05794 125.4
[M+NH4]+ 155.09904 142.0
[M+K]+ 176.02838 135.3
[M+H-H2O]+ 120.06248 116.0
[M+HCOO]- 182.06342 143.8
[M+CH3COO]- 196.07907 173.6
[M+Na-2H]- 158.03989 132.3
[M]+ 137.06467 131.0
[M]- 137.06577 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.