CID 10900106

(s)-(+)-citronellyl bromide

Structural Information

Molecular Formula

C₁₀H₁₉Br

SMILES

C[C@@H](CCC=C(C)C)CCBr

InChI

InChI=1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1

InChIKey

QPKCDMXLSDFCQD-JTQLQIEISA-N

Compound name

(6S)-8-bromo-2,6-dimethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 286
Patents: 218.06702 Da
Monoisotopic Mass: 4.6
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]+	219.07430	148.1
[M+Na]+	241.05624	157.2
[M-H]-	217.05974	150.7
[M+NH4]+	236.10084	170.3
[M+K]+	257.03018	146.4
[M+H-H2O]+	201.06428	148.5
[M+HCOO]-	263.06522	166.4
[M+CH3COO]-	277.08087	189.6
[M+Na-2H]-	239.04169	151.7
[M]+	218.06647	167.1
[M]-	218.06757	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe