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]+ 322.06484 161.9
[M+Na]+ 344.04678 168.7
[M-H]- 320.05028 167.3
[M+NH4]+ 339.09138 175.3
[M+K]+ 360.02072 162.7
[M+H-H2O]+ 304.05482 157.4
[M+HCOO]- 366.05576 178.2
[M+CH3COO]- 380.07141 206.0
[M+Na-2H]- 342.03223 165.9
[M]+ 321.05701 190.0
[M]- 321.05811 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.