CID 65000633

1512676-57-1

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]+ 208.149606 148.5
[M+Na]+ 230.131548 155.8
[M-H]- 206.135054 154.0
[M+NH4]+ 225.176153 164.8
[M+K]+ 246.105488 155.3
[M+H-H2O]+ 190.139590 138.1
[M+HCOO]- 252.140531 169.3
[M+CH3COO]- 266.156181 193.0
[M+Na-2H]- 228.116996 153.3
[M]+ 207.14178142 154.3
[M]- 207.14287858 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.