CID 43122235

[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine

Structural Information

Molecular Formula
C13H19FN2O
SMILES
CC1CN(CC(O1)C)C2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C13H19FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
InChIKey
RQXUTJPPGWZYLD-UHFFFAOYSA-N
Compound name
[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.14815 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.155426 156.7
[M+Na]+ 261.137368 163.8
[M-H]- 237.140874 160.8
[M+NH4]+ 256.181973 171.7
[M+K]+ 277.111308 161.2
[M+H-H2O]+ 221.145410 147.9
[M+HCOO]- 283.146351 174.4
[M+CH3COO]- 297.162001 196.3
[M+Na-2H]- 259.122816 158.8
[M]+ 238.14760142 152.5
[M]- 238.14869858 152.5
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