CID 154779831

2385014-67-3

Structural Information

Molecular Formula
C12H20BrNO4
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)CBr)C(=O)OC
InChI
InChI=1S/C12H20BrNO4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-8(6-12)7-13/h8H,5-7H2,1-4H3,(H,14,16)
InChIKey
NWOQEELBNHAZPG-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.05756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.064836 161.9
[M+Na]+ 344.046778 168.7
[M-H]- 320.050284 167.3
[M+NH4]+ 339.091383 175.3
[M+K]+ 360.020718 162.7
[M+H-H2O]+ 304.054820 157.4
[M+HCOO]- 366.055761 178.2
[M+CH3COO]- 380.071411 206.0
[M+Na-2H]- 342.032226 165.9
[M]+ 321.05701142 190.0
[M]- 321.05810858 190.0
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.