CID 57013817

191110-93-7

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

7
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 163.1
[M+Na]+ 282.13119 166.1
[M-H]- 258.13469 164.8
[M+NH4]+ 277.17579 174.2
[M+K]+ 298.10513 169.8
[M+H-H2O]+ 242.13923 153.3
[M+HCOO]- 304.14017 180.2
[M+CH3COO]- 318.15582 197.1
[M+Na-2H]- 280.11664 165.1
[M]+ 259.14142 173.7
[M]- 259.14252 173.7
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

patents stripe