CID 45026943

3-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)NC1(CCOC1)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(7(12)13)4-5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
NTJLSVSHOMWEIC-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 150.4
[M+Na]+ 254.099888 155.1
[M-H]- 230.103394 152.8
[M+NH4]+ 249.144493 169.4
[M+K]+ 270.073828 156.6
[M+H-H2O]+ 214.107930 146.5
[M+HCOO]- 276.108871 168.9
[M+CH3COO]- 290.124521 185.7
[M+Na-2H]- 252.085336 155.1
[M]+ 231.11012142 150.6
[M]- 231.11121858 150.6
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