CID 122164266

Rac-[(1r,6r)-7,7-difluoro-2-oxabicyclo[4.1.0]heptan-1-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1C[C@@H]2[C@@](C2(F)F)(OC1)CN
InChI
InChI=1S/C7H11F2NO/c8-7(9)5-2-1-3-11-6(5,7)4-10/h5H,1-4,10H2/t5-,6+/m1/s1
InChIKey
NTMISQSYYKJABA-RITPCOANSA-N
Compound name
[(1R,6R)-7,7-difluoro-2-oxabicyclo[4.1.0]heptan-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.08087 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 129.3
[M+Na]+ 186.07009 139.2
[M-H]- 162.07359 132.6
[M+NH4]+ 181.11469 148.2
[M+K]+ 202.04403 139.0
[M+H-H2O]+ 146.07813 123.5
[M+HCOO]- 208.07907 146.8
[M+CH3COO]- 222.09472 181.8
[M+Na-2H]- 184.05554 138.1
[M]+ 163.08032 127.6
[M]- 163.08142 127.6
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.