CID 75539639

3-amino-1-[(3-fluorophenyl)methyl]cyclobutan-1-ol

Structural Information

Molecular Formula
C11H14FNO
SMILES
C1C(CC1(CC2=CC(=CC=C2)F)O)N
InChI
InChI=1S/C11H14FNO/c12-9-3-1-2-8(4-9)5-11(14)6-10(13)7-11/h1-4,10,14H,5-7,13H2
InChIKey
HVRIETLSXBVWMD-UHFFFAOYSA-N
Compound name
3-amino-1-[(3-fluorophenyl)methyl]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11322 142.8
[M+Na]+ 218.09516 149.3
[M-H]- 194.09866 146.7
[M+NH4]+ 213.13976 156.7
[M+K]+ 234.06910 148.9
[M+H-H2O]+ 178.10320 131.5
[M+HCOO]- 240.10414 162.9
[M+CH3COO]- 254.11979 186.9
[M+Na-2H]- 216.08061 147.2
[M]+ 195.10539 147.0
[M]- 195.10649 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.