CID 28937882

[1-(3-fluorophenyl)cyclobutyl]methanamine

Structural Information

Molecular Formula
C11H14FN
SMILES
C1CC(C1)(CN)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H14FN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2
InChIKey
QVKLJTPSPVHTRP-UHFFFAOYSA-N
Compound name
[1-(3-fluorophenyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 138.3
[M+Na]+ 202.10024 144.6
[M-H]- 178.10374 143.4
[M+NH4]+ 197.14484 153.4
[M+K]+ 218.07418 144.5
[M+H-H2O]+ 162.10828 126.9
[M+HCOO]- 224.10922 159.9
[M+CH3COO]- 238.12487 186.3
[M+Na-2H]- 200.08569 144.0
[M]+ 179.11047 142.7
[M]- 179.11157 142.7
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.