CID 71757211

[1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol

Structural Information

Molecular Formula
C11H14FNO
SMILES
CC1(CN(C1)C2=CC=C(C=C2)F)CO
InChI
InChI=1S/C11H14FNO/c1-11(8-14)6-13(7-11)10-4-2-9(12)3-5-10/h2-5,14H,6-8H2,1H3
InChIKey
DMHBZKHOJFIBCO-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11322 141.1
[M+Na]+ 218.09516 148.6
[M-H]- 194.09866 144.2
[M+NH4]+ 213.13976 154.4
[M+K]+ 234.06910 148.4
[M+H-H2O]+ 178.10320 129.5
[M+HCOO]- 240.10414 159.8
[M+CH3COO]- 254.11979 185.3
[M+Na-2H]- 216.08061 146.5
[M]+ 195.10539 147.6
[M]- 195.10649 147.6
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.