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]+ 237.12337 153.6
[M+Na]+ 259.10531 159.0
[M-H]- 235.10881 158.7
[M+NH4]+ 254.14991 167.8
[M+K]+ 275.07925 158.2
[M+H-H2O]+ 219.11335 145.3
[M+HCOO]- 281.11429 172.4
[M+CH3COO]- 295.12994 191.9
[M+Na-2H]- 257.09076 157.3
[M]+ 236.11554 150.8
[M]- 236.11664 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