CID 3075551

185759-11-9

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC=C(C=C1)C2CN(CCO2)CCOC(=O)OC
InChI
InChI=1S/C15H21NO4/c1-12-3-5-13(6-4-12)14-11-16(7-9-19-14)8-10-20-15(17)18-2/h3-6,14H,7-11H2,1-2H3
InChIKey
JSAASYHGDYHHCU-UHFFFAOYSA-N
Compound name
methyl 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.3
[M+Na]+ 302.13628 170.3
[M-H]- 278.13978 170.5
[M+NH4]+ 297.18088 178.4
[M+K]+ 318.11022 169.8
[M+H-H2O]+ 262.14432 156.7
[M+HCOO]- 324.14526 182.9
[M+CH3COO]- 338.16091 198.0
[M+Na-2H]- 300.12173 168.1
[M]+ 279.14651 166.6
[M]- 279.14761 166.6
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.