CID 138696089

Rac-2-[(1r,3r)-3-{[(tert-butoxy)carbonyl]amino}cyclobutoxy]acetic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC1CC(C1)OCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-7-4-8(5-7)16-6-9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
SUFFQVADAGUVRO-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

245.12633 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 157.5
[M+Na]+ 268.11555 159.9
[M-H]- 244.11905 158.9
[M+NH4]+ 263.16015 167.0
[M+K]+ 284.08949 163.7
[M+H-H2O]+ 228.12359 146.1
[M+HCOO]- 290.12453 175.0
[M+CH3COO]- 304.14018 195.3
[M+Na-2H]- 266.10100 158.7
[M]+ 245.12578 167.3
[M]- 245.12688 167.3
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