CID 735637

303095-00-3

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)OC(=O)N2CCOCC2
InChI
InChI=1S/C13H16N2O4/c1-10(16)14-11-2-4-12(5-3-11)19-13(17)15-6-8-18-9-7-15/h2-5H,6-9H2,1H3,(H,14,16)
InChIKey
YBQWOVMEUBPGFM-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.111 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 159.5
[M+Na]+ 287.100218 163.6
[M-H]- 263.103724 164.7
[M+NH4]+ 282.144823 172.4
[M+K]+ 303.074158 163.4
[M+H-H2O]+ 247.108260 150.8
[M+HCOO]- 309.109201 178.0
[M+CH3COO]- 323.124851 195.4
[M+Na-2H]- 285.085666 163.4
[M]+ 264.11045142 157.6
[M]- 264.11154858 157.6
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

No patent data available for this compound.