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 153.0
[M+Na]+ 254.09989 155.9
[M-H]- 230.10339 155.3
[M+NH4]+ 249.14449 163.7
[M+K]+ 270.07383 160.9
[M+H-H2O]+ 214.10793 143.2
[M+HCOO]- 276.10887 170.0
[M+CH3COO]- 290.12452 190.8
[M+Na-2H]- 252.08534 157.8
[M]+ 231.11012 163.2
[M]- 231.11122 163.2
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.