CID 28958487

N-[(4-fluorophenyl)methyl]oxan-4-amine

Structural Information

Molecular Formula
C12H16FNO
SMILES
C1COCCC1NCC2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-14-12-5-7-15-8-6-12/h1-4,12,14H,5-9H2
InChIKey
AWGLYZFIAAEFSE-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.1216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12888 145.6
[M+Na]+ 232.11082 150.2
[M-H]- 208.11432 150.7
[M+NH4]+ 227.15542 162.4
[M+K]+ 248.08476 148.3
[M+H-H2O]+ 192.11886 137.4
[M+HCOO]- 254.11980 165.6
[M+CH3COO]- 268.13545 187.6
[M+Na-2H]- 230.09627 151.6
[M]+ 209.12105 140.3
[M]- 209.12215 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

No literature data available for this compound.

Patent stripe

patents stripe