CID 114775215

1594722-78-7

Structural Information

Molecular Formula
C11H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CBr)O
InChI
InChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8H2,1-3H3
InChIKey
GSNRNFWKOUTUPR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(bromomethyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06265 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06993 160.0
[M+Na]+ 316.05187 168.6
[M-H]- 292.05537 163.0
[M+NH4]+ 311.09647 179.3
[M+K]+ 332.02581 158.8
[M+H-H2O]+ 276.05991 160.9
[M+HCOO]- 338.06085 173.1
[M+CH3COO]- 352.07650 193.4
[M+Na-2H]- 314.03732 165.1
[M]+ 293.06210 176.9
[M]- 293.06320 176.9
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.