CID 23113089

255727-66-3

Structural Information

Molecular Formula

C₁₅H₂₇BrO₂

SMILES

CC(C)(C(=O)OCCCCCCCCCC=C)Br

InChI

InChI=1S/C15H27BrO2/c1-4-5-6-7-8-9-10-11-12-13-18-14(17)15(2,3)16/h4H,1,5-13H2,2-3H3

InChIKey

RHLOSBPISIVGMQ-UHFFFAOYSA-N

Compound name

undec-10-enyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 318.11945 Da
Monoisotopic Mass: 6.0
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]+	319.12673	174.6
[M+Na]+	341.10867	182.5
[M-H]-	317.11217	176.4
[M+NH4]+	336.15327	193.0
[M+K]+	357.08261	170.6
[M+H-H2O]+	301.11671	174.2
[M+HCOO]-	363.11765	191.4
[M+CH3COO]-	377.13330	205.8
[M+Na-2H]-	339.09412	177.3
[M]+	318.11890	197.5
[M]-	318.12000	197.5

Literature stripe

literature stripe

Patent stripe

patents stripe