CID 165990770

Tert-butyl n-(5-bromo-2-methylpentan-2-yl)carbamate

Structural Information

Molecular Formula
C11H22BrNO2
SMILES
CC(C)(C)OC(=O)NC(C)(C)CCCBr
InChI
InChI=1S/C11H22BrNO2/c1-10(2,3)15-9(14)13-11(4,5)7-6-8-12/h6-8H2,1-5H3,(H,13,14)
InChIKey
BWZCZHAESAQHJU-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-2-methylpentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09068 162.2
[M+Na]+ 302.07262 170.9
[M-H]- 278.07612 164.8
[M+NH4]+ 297.11722 181.9
[M+K]+ 318.04656 160.6
[M+H-H2O]+ 262.08066 162.1
[M+HCOO]- 324.08160 179.4
[M+CH3COO]- 338.09725 199.1
[M+Na-2H]- 300.05807 167.8
[M]+ 279.08285 182.7
[M]- 279.08395 182.7
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.