CID 64104515

1461714-03-3

Structural Information

Molecular Formula
C12H16FNO
SMILES
CNC1CCOC(C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H16FNO/c1-14-11-6-7-15-12(8-11)9-2-4-10(13)5-3-9/h2-5,11-12,14H,6-8H2,1H3
InChIKey
NXQJSVOBTWNAFS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.8
[M+Na]+ 232.11082 151.4
[M-H]- 208.11432 151.4
[M+NH4]+ 227.15542 163.0
[M+K]+ 248.08476 149.6
[M+H-H2O]+ 192.11886 137.8
[M+HCOO]- 254.11980 165.9
[M+CH3COO]- 268.13545 188.8
[M+Na-2H]- 230.09627 151.1
[M]+ 209.12105 140.9
[M]- 209.12215 140.9
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.