CID 10777541

117487-58-8

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(N([C@@H](CO1)[C@@H](C=C)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h7,9-10,15H,1,8H2,2-6H3/t9-,10+/m0/s1
InChIKey
RBLCLVKAXXFKNX-VHSXEESVSA-N
Compound name
tert-butyl (4S)-4-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.16272 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 158.9
[M+Na]+ 280.15194 165.3
[M-H]- 256.15544 160.4
[M+NH4]+ 275.19654 176.8
[M+K]+ 296.12588 165.7
[M+H-H2O]+ 240.15998 155.0
[M+HCOO]- 302.16092 174.0
[M+CH3COO]- 316.17657 192.7
[M+Na-2H]- 278.13739 160.4
[M]+ 257.16217 160.9
[M]- 257.16327 160.9
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