CID 134830462

Tert-butyl 10-bromodecanoate

Structural Information

Molecular Formula

C₁₄H₂₇BrO₂

SMILES

CC(C)(C)OC(=O)CCCCCCCCCBr

InChI

InChI=1S/C14H27BrO2/c1-14(2,3)17-13(16)11-9-7-5-4-6-8-10-12-15/h4-12H2,1-3H3

InChIKey

QQLXPUHVMNANLN-UHFFFAOYSA-N

Compound name

tert-butyl 10-bromodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 306.11945 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.12673	172.2
[M+Na]+	329.10867	180.3
[M-H]-	305.11217	174.1
[M+NH4]+	324.15327	191.2
[M+K]+	345.08261	169.2
[M+H-H2O]+	289.11671	171.9
[M+HCOO]-	351.11765	189.1
[M+CH3COO]-	365.13330	203.2
[M+Na-2H]-	327.09412	175.3
[M]+	306.11890	195.3
[M]-	306.12000	195.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe