CID 125511839

2138341-93-0

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@@H](C1)CO)CC(=O)O
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-5-8(4-10(15)16)18-9(6-13)7-14/h8-9,14H,4-7H2,1-3H3,(H,15,16)/t8-,9+/m1/s1
InChIKey
SOKIBMAVATWILZ-BDAKNGLRSA-N
Compound name
2-[(2R,6S)-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1369 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14418 162.1
[M+Na]+ 298.12612 166.5
[M-H]- 274.12962 161.7
[M+NH4]+ 293.17072 174.4
[M+K]+ 314.10006 167.3
[M+H-H2O]+ 258.13416 156.2
[M+HCOO]- 320.13510 174.3
[M+CH3COO]- 334.15075 192.8
[M+Na-2H]- 296.11157 163.5
[M]+ 275.13635 162.5
[M]- 275.13745 162.5
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.