CID 5365867

Geranyl bromide

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

CC(=CCC/C(=C/CBr)/C)C

InChI

InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+

InChIKey

JSCUZAYKVZXKQE-JXMROGBWSA-N

Compound name

(2E)-1-bromo-3,7-dimethylocta-2,6-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1178
Patents: 216.05136 Da
Monoisotopic Mass: 4.3
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]+	217.05864	143.7
[M+Na]+	239.04058	144.9
[M+NH4]+	234.08518	148.0
[M+K]+	255.01452	144.4
[M-H]-	215.04408	142.1
[M+Na-2H]-	237.02603	144.1
[M]+	216.05081	142.0
[M]-	216.05191	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe