CID 6484227

[4-(4-fluorophenyl)oxan-4-yl]methanamine

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1COCCC1(CN)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2
InChIKey
RJNKDRCJNIVDII-UHFFFAOYSA-N
Compound name
[4-(4-fluorophenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

209.1216 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 146.3
[M+Na]+ 232.110818 152.0
[M-H]- 208.114324 151.3
[M+NH4]+ 227.155423 164.9
[M+K]+ 248.084758 150.1
[M+H-H2O]+ 192.118860 138.7
[M+HCOO]- 254.119801 165.7
[M+CH3COO]- 268.135451 186.5
[M+Na-2H]- 230.096266 152.3
[M]+ 209.12105142 140.3
[M]- 209.12214858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe