CID 137963804

Methyl 4-benzyl-5-cyano-5-(hydroxymethyl)morpholine-2-carboxylate

Structural Information

Molecular Formula
C15H18N2O4
SMILES
COC(=O)C1CN(C(CO1)(CO)C#N)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4/c1-20-14(19)13-8-17(7-12-5-3-2-4-6-12)15(9-16,10-18)11-21-13/h2-6,13,18H,7-8,10-11H2,1H3
InChIKey
CSMAUZGBIXSTFQ-UHFFFAOYSA-N
Compound name
methyl 4-benzyl-5-cyano-5-(hydroxymethyl)morpholine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.1
[M+Na]+ 313.11587 172.1
[M-H]- 289.11937 167.0
[M+NH4]+ 308.16047 176.3
[M+K]+ 329.08981 168.8
[M+H-H2O]+ 273.12391 149.9
[M+HCOO]- 335.12485 177.2
[M+CH3COO]- 349.14050 207.6
[M+Na-2H]- 311.10132 167.6
[M]+ 290.12610 158.8
[M]- 290.12720 158.8
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.