CID 165587919

Rac-[(1r,3r)-5-amino-2,2-difluorospiro[2.3]hexan-1-yl]methanol hydrochloride

Structural Information

Molecular Formula
C7H11F2NO
SMILES
C1C(CC12[C@H](C2(F)F)CO)N
InChI
InChI=1S/C7H11F2NO/c8-7(9)5(3-11)6(7)1-4(10)2-6/h4-5,11H,1-3,10H2/t4?,5-,6?/m1/s1
InChIKey
ULMGAGYGWMNVTE-INWUZDNDSA-N
Compound name
[(1S)-5-amino-2,2-difluorospiro[2.3]hexan-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.08087 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08815 129.8
[M+Na]+ 186.07009 139.3
[M-H]- 162.07359 133.2
[M+NH4]+ 181.11469 143.0
[M+K]+ 202.04403 139.7
[M+H-H2O]+ 146.07813 121.0
[M+HCOO]- 208.07907 148.1
[M+CH3COO]- 222.09472 184.3
[M+Na-2H]- 184.05554 135.6
[M]+ 163.08032 136.2
[M]- 163.08142 136.2
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.