CID 137698936

2138230-26-7

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)NCC1(COC1)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-4-10(7(12)13)5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ONMGTCLLGPXBQT-UHFFFAOYSA-N
Compound name
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11067 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 157.1
[M+Na]+ 254.09989 158.9
[M+NH4]+ 249.14449 158.9
[M+K]+ 270.07383 157.6
[M-H]- 230.10339 153.1
[M+Na-2H]- 252.08534 156.4
[M]+ 231.11012 154.7
[M]- 231.11122 154.7
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.