CID 27362

Mobecarb

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1COCCN1CC(=O)OCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(12-4-2-1-3-5-12)11-19-14(17)10-15-6-8-18-9-7-15/h1-5H,6-11H2
InChIKey
WIELTBTVQBNULW-UHFFFAOYSA-N
Compound name
phenacyl 2-morpholin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

263.11575 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.5
[M+Na]+ 286.10497 162.9
[M-H]- 262.10847 164.1
[M+NH4]+ 281.14957 172.3
[M+K]+ 302.07891 162.5
[M+H-H2O]+ 246.11301 150.7
[M+HCOO]- 308.11395 176.6
[M+CH3COO]- 322.12960 193.4
[M+Na-2H]- 284.09042 163.1
[M]+ 263.11520 158.4
[M]- 263.11630 158.4
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

No patent data available for this compound.