CID 108485244

Benzyl 3-(hydroxymethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C13H17NO4
SMILES
C1COCC(N1C(=O)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C13H17NO4/c15-8-12-10-17-7-6-14(12)13(16)18-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey
FDIAPFRJARUCGP-UHFFFAOYSA-N
Compound name
benzyl 3-(hydroxymethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 156.7
[M+Na]+ 274.104968 161.1
[M-H]- 250.108474 160.4
[M+NH4]+ 269.149573 169.9
[M+K]+ 290.078908 160.2
[M+H-H2O]+ 234.113010 148.4
[M+HCOO]- 296.113951 173.4
[M+CH3COO]- 310.129601 188.3
[M+Na-2H]- 272.090416 160.8
[M]+ 251.11520142 155.0
[M]- 251.11629858 155.0
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.