CID 782154

Methyl 4-{[cis-2,6-dimethylmorpholin-4-yl]methyl}benzoate

Structural Information

Molecular Formula
C15H21NO3
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H21NO3/c1-11-8-16(9-12(2)19-11)10-13-4-6-14(7-5-13)15(17)18-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKey
RUBXNPWHLYVIKR-TXEJJXNPSA-N
Compound name
methyl 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.0
[M+Na]+ 286.141348 168.0
[M-H]- 262.144854 167.5
[M+NH4]+ 281.185953 176.1
[M+K]+ 302.115288 166.9
[M+H-H2O]+ 246.149390 153.8
[M+HCOO]- 308.150331 179.4
[M+CH3COO]- 322.165981 197.7
[M+Na-2H]- 284.126796 164.1
[M]+ 263.15158142 162.4
[M]- 263.15267858 162.4
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

patents stripe