CID 3076632

(1r,2'r)-1-phenyl-2-((morpholin-2-yl)methoxy)ethanol oxalate

Structural Information

Molecular Formula
C13H19NO3
SMILES
C1CO[C@H](CN1)COC[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C13H19NO3/c15-13(11-4-2-1-3-5-11)10-16-9-12-8-14-6-7-17-12/h1-5,12-15H,6-10H2/t12-,13+/m1/s1
InChIKey
DWFJZBRYOXLXHU-OLZOCXBDSA-N
Compound name
(1R)-2-[[(2R)-morpholin-2-yl]methoxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.13649 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.8
[M+Na]+ 260.125708 157.5
[M-H]- 236.129214 156.5
[M+NH4]+ 255.170313 167.5
[M+K]+ 276.099648 155.6
[M+H-H2O]+ 220.133750 146.6
[M+HCOO]- 282.134691 169.6
[M+CH3COO]- 296.150341 184.6
[M+Na-2H]- 258.111156 159.1
[M]+ 237.13594142 150.3
[M]- 237.13703858 150.3
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