CID 71382421

Ethyl 6,6-dibromo-3,3-dimethylhex-5-enoate

Structural Information

Molecular Formula

C₁₀H₁₆Br₂O₂

SMILES

CCOC(=O)CC(C)(C)CC=C(Br)Br

InChI

InChI=1S/C10H16Br2O2/c1-4-14-9(13)7-10(2,3)6-5-8(11)12/h5H,4,6-7H2,1-3H3

InChIKey

GSGLDDUIENYOJX-UHFFFAOYSA-N

Compound name

ethyl 6,6-dibromo-3,3-dimethylhex-5-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 325.9517 Da
Monoisotopic Mass: 4.0
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]+	326.95898	155.9
[M+Na]+	348.94092	165.2
[M-H]-	324.94442	159.6
[M+NH4]+	343.98552	174.1
[M+K]+	364.91486	149.3
[M+H-H2O]+	308.94896	163.4
[M+HCOO]-	370.94990	168.6
[M+CH3COO]-	384.96555	207.9
[M+Na-2H]-	346.92637	160.0
[M]+	325.95115	190.9
[M]-	325.95225	190.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe