CID 108485244

Benzyl (r)-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]+ 252.12303 156.7
[M+Na]+ 274.10497 161.1
[M-H]- 250.10847 160.4
[M+NH4]+ 269.14957 169.9
[M+K]+ 290.07891 160.2
[M+H-H2O]+ 234.11301 148.4
[M+HCOO]- 296.11395 173.4
[M+CH3COO]- 310.12960 188.3
[M+Na-2H]- 272.09042 160.8
[M]+ 251.11520 155.0
[M]- 251.11630 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.