CID 65000633

(1-(4-fluorophenyl)-3,3-dimethylcyclobutyl)methanamine

Structural Information

Molecular Formula
C13H18FN
SMILES
CC1(CC(C1)(CN)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H18FN/c1-12(2)7-13(8-12,9-15)10-3-5-11(14)6-4-10/h3-6H,7-9,15H2,1-2H3
InChIKey
BDNNEVYPCZGFFV-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-3,3-dimethylcyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14961 148.5
[M+Na]+ 230.13155 155.8
[M-H]- 206.13505 154.0
[M+NH4]+ 225.17615 164.8
[M+K]+ 246.10549 155.3
[M+H-H2O]+ 190.13959 138.1
[M+HCOO]- 252.14053 169.3
[M+CH3COO]- 266.15618 193.0
[M+Na-2H]- 228.11700 153.3
[M]+ 207.14178 154.3
[M]- 207.14288 154.3
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.