CID 136574707

2174001-93-3

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC1(COCCC1(C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO5/c1-11(2,3)19-10(17)14-13(9(15)16)6-7-18-8-12(13,4)5/h6-8H2,1-5H3,(H,14,17)(H,15,16)
InChIKey
WBHOHOVWCJTDSR-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.164896 160.4
[M+Na]+ 296.146838 165.1
[M-H]- 272.150344 162.8
[M+NH4]+ 291.191443 178.4
[M+K]+ 312.120778 166.8
[M+H-H2O]+ 256.154880 157.1
[M+HCOO]- 318.155821 175.9
[M+CH3COO]- 332.171471 196.3
[M+Na-2H]- 294.132286 165.7
[M]+ 273.15707142 160.8
[M]- 273.15816858 160.8
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.