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]+ 134.097566 125.6
[M+Na]+ 156.079508 131.7
[M-H]- 132.083014 125.1
[M+NH4]+ 151.124113 139.3
[M+K]+ 172.053448 133.5
[M+H-H2O]+ 116.087550 114.4
[M+HCOO]- 178.088491 144.2
[M+CH3COO]- 192.104141 174.6
[M+Na-2H]- 154.064956 130.7
[M]+ 133.08974142 131.9
[M]- 133.09083858 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