CID 89025996

1147110-70-0

Structural Information

Molecular Formula
C6H12FNO
SMILES
CO[C@@H]1CCNC[C@@H]1F
InChI
InChI=1S/C6H12FNO/c1-9-6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
NKLOYRQCMQNZOI-NTSWFWBYSA-N
Compound name
(3S,4R)-3-fluoro-4-methoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

133.09029 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09757 126.8
[M+Na]+ 156.07951 132.9
[M-H]- 132.08301 125.8
[M+NH4]+ 151.12411 146.6
[M+K]+ 172.05345 131.6
[M+H-H2O]+ 116.08755 120.2
[M+HCOO]- 178.08849 144.3
[M+CH3COO]- 192.10414 169.1
[M+Na-2H]- 154.06496 131.8
[M]+ 133.08974 120.6
[M]- 133.09084 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe