CID 16770478

926211-47-4

Structural Information

Molecular Formula
C12H16N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCOCC2)N
InChI
InChI=1S/C12H16N2O3/c1-16-11-3-2-9(8-10(11)13)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKey
PIALGJWTYQFKKM-UHFFFAOYSA-N
Compound name
(3-amino-4-methoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

236.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.6
[M+Na]+ 259.105308 159.0
[M-H]- 235.108814 158.7
[M+NH4]+ 254.149913 167.8
[M+K]+ 275.079248 158.2
[M+H-H2O]+ 219.113350 145.3
[M+HCOO]- 281.114291 172.4
[M+CH3COO]- 295.129941 191.9
[M+Na-2H]- 257.090756 157.3
[M]+ 236.11554142 150.8
[M]- 236.11663858 150.8
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