CID 177801120

1-(1-fluoro-3-phenylcyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H14FN
SMILES
C1C(CC1(CN)F)C2=CC=CC=C2
InChI
InChI=1S/C11H14FN/c12-11(8-13)6-10(7-11)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2
InChIKey
IUQHSEUJJUIHCM-UHFFFAOYSA-N
Compound name
(1-fluoro-3-phenylcyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.118296 138.3
[M+Na]+ 202.100238 144.6
[M-H]- 178.103744 143.4
[M+NH4]+ 197.144843 153.4
[M+K]+ 218.074178 144.5
[M+H-H2O]+ 162.108280 126.9
[M+HCOO]- 224.109221 159.9
[M+CH3COO]- 238.124871 186.3
[M+Na-2H]- 200.085686 144.0
[M]+ 179.11047142 142.7
[M]- 179.11156858 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.