CID 106822754

1700442-25-6

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)OC)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)5-7(6-11)16-4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
DUZSBLQOTMZVAN-UHFFFAOYSA-N
Compound name
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 158.2
[M+Na]+ 268.11555 161.6
[M-H]- 244.11905 160.1
[M+NH4]+ 263.16015 169.9
[M+K]+ 284.08949 165.5
[M+H-H2O]+ 228.12359 148.6
[M+HCOO]- 290.12453 175.7
[M+CH3COO]- 304.14018 194.8
[M+Na-2H]- 266.10100 160.8
[M]+ 245.12578 168.5
[M]- 245.12688 168.5
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.