CID 10878894

(4r)-2,2-dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(N([C@@H](CO1)C=C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m1/s1
InChIKey
SEDZCRLQHSPEFD-SECBINFHSA-N
Compound name
tert-butyl (4R)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

227.15215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 150.7
[M+Na]+ 250.14137 158.5
[M-H]- 226.14487 153.8
[M+NH4]+ 245.18597 170.7
[M+K]+ 266.11531 158.8
[M+H-H2O]+ 210.14941 146.7
[M+HCOO]- 272.15035 168.5
[M+CH3COO]- 286.16600 189.2
[M+Na-2H]- 248.12682 154.2
[M]+ 227.15160 153.5
[M]- 227.15270 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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