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-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 162.0
[M+Na]+ 286.14135 168.0
[M-H]- 262.14485 167.5
[M+NH4]+ 281.18595 176.1
[M+K]+ 302.11529 166.9
[M+H-H2O]+ 246.14939 153.8
[M+HCOO]- 308.15033 179.4
[M+CH3COO]- 322.16598 197.7
[M+Na-2H]- 284.12680 164.1
[M]+ 263.15158 162.4
[M]- 263.15268 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

No patent data available for this compound.