CID 16782295

2-(3-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C1COCCN1C(CN)C2=CC(=CC=C2)F
InChI
InChI=1S/C12H17FN2O/c13-11-3-1-2-10(8-11)12(9-14)15-4-6-16-7-5-15/h1-3,8,12H,4-7,9,14H2
InChIKey
HQHPLUZEYNYOLB-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-2-morpholin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.13249 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13977 151.4
[M+Na]+ 247.12171 155.7
[M-H]- 223.12521 154.5
[M+NH4]+ 242.16631 165.8
[M+K]+ 263.09565 153.8
[M+H-H2O]+ 207.12975 142.1
[M+HCOO]- 269.13069 168.4
[M+CH3COO]- 283.14634 190.5
[M+Na-2H]- 245.10716 155.1
[M]+ 224.13194 145.0
[M]- 224.13304 145.0
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