CID 155821605

2460755-76-2

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(COC)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-8-5-12(6-8,7-17-4)9(14)15/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
ORMNIOFGHHVGJU-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 162.9
[M+Na]+ 282.13119 165.8
[M-H]- 258.13469 164.5
[M+NH4]+ 277.17579 173.9
[M+K]+ 298.10513 169.5
[M+H-H2O]+ 242.13923 153.1
[M+HCOO]- 304.14017 180.0
[M+CH3COO]- 318.15582 197.7
[M+Na-2H]- 280.11664 164.9
[M]+ 259.14142 173.5
[M]- 259.14252 173.5
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.