CID 137971798

2241129-71-3

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC1(CN(CC(O1)CC(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(6-10(15)16)18-13(4,5)8-14/h9H,6-8H2,1-5H3,(H,15,16)
InChIKey
VVYISTGUCLIMIV-UHFFFAOYSA-N
Compound name
2-[6,6-dimethyl-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

273.15762 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 161.3
[M+Na]+ 296.14684 166.9
[M-H]- 272.15034 162.5
[M+NH4]+ 291.19144 176.6
[M+K]+ 312.12078 168.1
[M+H-H2O]+ 256.15488 156.5
[M+HCOO]- 318.15582 174.5
[M+CH3COO]- 332.17147 195.4
[M+Na-2H]- 294.13229 164.1
[M]+ 273.15707 162.9
[M]- 273.15817 162.9
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.