CID 155821555

2445793-51-9

Structural Information

Molecular Formula
C13H22BrNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CBr)C(=O)OC
InChI
InChI=1S/C13H22BrNO4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9H2,1-4H3
InChIKey
QRCVXWHJJDFHKW-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-(bromomethyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08048 168.1
[M+Na]+ 358.06242 176.3
[M-H]- 334.06592 172.2
[M+NH4]+ 353.10702 186.3
[M+K]+ 374.03636 167.4
[M+H-H2O]+ 318.07046 168.6
[M+HCOO]- 380.07140 181.4
[M+CH3COO]- 394.08705 202.7
[M+Na-2H]- 356.04787 171.9
[M]+ 335.07265 187.5
[M]- 335.07375 187.5
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.