CID 137965843

2230798-66-8

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1COCCC12C(C2(F)F)CN
InChI
InChI=1S/C8H13F2NO/c9-8(10)6(5-11)7(8)1-3-12-4-2-7/h6H,1-5,11H2
InChIKey
WUXQUUPCGMJRSD-UHFFFAOYSA-N
Compound name
(2,2-difluoro-6-oxaspiro[2.5]octan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10381 132.9
[M+Na]+ 200.08575 142.0
[M-H]- 176.08925 137.4
[M+NH4]+ 195.13035 150.6
[M+K]+ 216.05969 142.0
[M+H-H2O]+ 160.09379 126.8
[M+HCOO]- 222.09473 150.5
[M+CH3COO]- 236.11038 183.6
[M+Na-2H]- 198.07120 140.4
[M]+ 177.09598 129.8
[M]- 177.09708 129.8
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.