CID 57013817

116129-03-4

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)CO)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-12(9(15)17-4)5-8(6-12)7-14/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKey
JWUKOWKUAPSHEH-UHFFFAOYSA-N
Compound name
methyl 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 166.1
[M+Na]+ 282.13119 167.5
[M+NH4]+ 277.17579 167.7
[M+K]+ 298.10513 165.7
[M-H]- 258.13469 160.8
[M+Na-2H]- 280.11664 165.1
[M]+ 259.14142 163.2
[M]- 259.14252 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

patents stripe