CID 99996312

Rac-(2r,4r)-4-{[(tert-butoxy)carbonyl]amino}oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](OC1)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-6-4-7(8(12)13)15-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7-/m0/s1
InChIKey
XPLRZNDPTQWMSL-BQBZGAKWSA-N
Compound name
(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.11067 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 151.2
[M+Na]+ 254.09989 155.9
[M-H]- 230.10339 153.7
[M+NH4]+ 249.14449 168.5
[M+K]+ 270.07383 157.2
[M+H-H2O]+ 214.10793 146.3
[M+HCOO]- 276.10887 169.7
[M+CH3COO]- 290.12452 187.5
[M+Na-2H]- 252.08534 153.8
[M]+ 231.11012 151.4
[M]- 231.11122 151.4
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

patents stripe