CID 171920976

Rac-(2r,3r)-3-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7-4-5-16-8(7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1
InChIKey
DBSNKSRKAWXFCQ-HTQZYQBOSA-N
Compound name
(2R,3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 155.9
[M+Na]+ 268.11555 160.2
[M-H]- 244.11905 158.2
[M+NH4]+ 263.16015 172.6
[M+K]+ 284.08949 161.2
[M+H-H2O]+ 228.12359 150.8
[M+HCOO]- 290.12453 174.1
[M+CH3COO]- 304.14018 190.5
[M+Na-2H]- 266.10100 157.9
[M]+ 245.12578 156.4
[M]- 245.12688 156.4
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

No patent data available for this compound.