CID 11053463

(s)-4-hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC1(N([C@H](CO1)CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h8,13H,6-7H2,1-5H3/t8-/m0/s1
InChIKey
DWFOEHLGMZJBAA-QMMMGPOBSA-N
Compound name
tert-butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

231.14706 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 151.6
[M+Na]+ 254.136278 158.9
[M-H]- 230.139784 153.3
[M+NH4]+ 249.180883 170.7
[M+K]+ 270.110218 159.7
[M+H-H2O]+ 214.144320 147.7
[M+HCOO]- 276.145261 168.2
[M+CH3COO]- 290.160911 186.6
[M+Na-2H]- 252.121726 155.2
[M]+ 231.14651142 154.2
[M]- 231.14760858 154.2
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

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