CID 4352885

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
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

literature stripe

Patent stripe

patents stripe