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
3
Annotation Hits

0
References

1280
Patents

216.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.058636 146.2
[M+Na]+ 239.040578 155.8
[M-H]- 215.044084 148.9
[M+NH4]+ 234.085183 168.6
[M+K]+ 255.014518 144.4
[M+H-H2O]+ 199.048620 146.8
[M+HCOO]- 261.049561 164.8
[M+CH3COO]- 275.065211 188.1
[M+Na-2H]- 237.026026 149.9
[M]+ 216.05081142 164.5
[M]- 216.05190858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe