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]+ 274.16490 160.4
[M+Na]+ 296.14684 165.1
[M-H]- 272.15034 162.8
[M+NH4]+ 291.19144 178.4
[M+K]+ 312.12078 166.8
[M+H-H2O]+ 256.15488 157.1
[M+HCOO]- 318.15582 175.9
[M+CH3COO]- 332.17147 196.3
[M+Na-2H]- 294.13229 165.7
[M]+ 273.15707 160.8
[M]- 273.15817 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.