CID 155820428

2567504-66-7

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1CC2(CC1(CO2)C(F)F)CN
InChI
InChI=1S/C8H13F2NO/c9-6(10)7-1-2-8(3-7,4-11)12-5-7/h6H,1-5,11H2
InChIKey
WMCQWYMEOPBTEX-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-oxabicyclo[2.2.1]heptan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10381 135.5
[M+Na]+ 200.08575 142.8
[M-H]- 176.08925 135.8
[M+NH4]+ 195.13035 162.4
[M+K]+ 216.05969 141.7
[M+H-H2O]+ 160.09379 130.6
[M+HCOO]- 222.09473 153.6
[M+CH3COO]- 236.11038 180.2
[M+Na-2H]- 198.07120 140.7
[M]+ 177.09598 130.9
[M]- 177.09708 130.9
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.