CID 6932187

139009-66-8

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC1(N([C@@H](CO1)C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)6-16-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
XUYBSTJQGVZMSK-ZETCQYMHSA-N
Compound name
(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

245.12633 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 152.1
[M+Na]+ 268.115548 159.3
[M-H]- 244.119054 154.0
[M+NH4]+ 263.160153 170.4
[M+K]+ 284.089488 160.7
[M+H-H2O]+ 228.123590 148.5
[M+HCOO]- 290.124531 168.2
[M+CH3COO]- 304.140181 188.9
[M+Na-2H]- 266.100996 155.0
[M]+ 245.12578142 155.0
[M]- 245.12687858 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

literature stripe

Patent stripe

patents stripe