CID 145912870

2167070-91-7

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC1CN(CC(O1)CC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO5/c1-8-6-13(11(16)18-12(2,3)4)7-9(17-8)5-10(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
UVZFNQFMVKGKKE-UHFFFAOYSA-N
Compound name
2-[6-methyl-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

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.8
[M+Na]+ 282.13119 163.9
[M-H]- 258.13469 159.9
[M+NH4]+ 277.17579 172.6
[M+K]+ 298.10513 164.8
[M+H-H2O]+ 242.13923 152.9
[M+HCOO]- 304.14017 172.4
[M+CH3COO]- 318.15582 192.9
[M+Na-2H]- 280.11664 160.6
[M]+ 259.14142 159.6
[M]- 259.14252 159.6
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.