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

77
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 150.4
[M+Na]+ 254.09989 155.1
[M-H]- 230.10339 152.8
[M+NH4]+ 249.14449 169.4
[M+K]+ 270.07383 156.6
[M+H-H2O]+ 214.10793 146.5
[M+HCOO]- 276.10887 168.9
[M+CH3COO]- 290.12452 185.7
[M+Na-2H]- 252.08534 155.1
[M]+ 231.11012 150.6
[M]- 231.11122 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