CID 170911183

(1s,3s)-3-(aminomethyl)-1-(4-fluorophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1C(CC1(C2=CC=C(C=C2)F)O)CN
InChI
InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(14)5-8(6-11)7-13/h1-4,8,14H,5-7,13H2
InChIKey
RHTZDUCTOAODFV-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-(4-fluorophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 142.8
[M+Na]+ 218.095158 149.3
[M-H]- 194.098664 146.7
[M+NH4]+ 213.139763 156.7
[M+K]+ 234.069098 148.9
[M+H-H2O]+ 178.103200 131.5
[M+HCOO]- 240.104141 162.9
[M+CH3COO]- 254.119791 186.9
[M+Na-2H]- 216.080606 147.2
[M]+ 195.10539142 147.0
[M]- 195.10648858 147.0
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.