CID 89581996

3-(3-fluoroazetidin-1-yl)propan-1-ol

Structural Information

Molecular Formula
C6H12FNO
SMILES
C1C(CN1CCCO)F
InChI
InChI=1S/C6H12FNO/c7-6-4-8(5-6)2-1-3-9/h6,9H,1-5H2
InChIKey
WUMOMKXIEFDOJH-UHFFFAOYSA-N
Compound name
3-(3-fluoroazetidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

133.09029 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09757 125.6
[M+Na]+ 156.07951 131.7
[M-H]- 132.08301 125.1
[M+NH4]+ 151.12411 139.3
[M+K]+ 172.05345 133.5
[M+H-H2O]+ 116.08755 114.4
[M+HCOO]- 178.08849 144.2
[M+CH3COO]- 192.10414 174.6
[M+Na-2H]- 154.06496 130.7
[M]+ 133.08974 131.9
[M]- 133.09084 131.9
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

patents stripe