CID 126986663

4-(bromomethyl)-4-methylhex-1-ene

Structural Information

Molecular Formula
C8H15Br
SMILES
CCC(C)(CC=C)CBr
InChI
InChI=1S/C8H15Br/c1-4-6-8(3,5-2)7-9/h4H,1,5-7H2,2-3H3
InChIKey
AEPYCWIJOMGNBW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-methylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 138.0
[M+Na]+ 213.024918 148.8
[M-H]- 189.028424 141.1
[M+NH4]+ 208.069523 161.5
[M+K]+ 228.998858 138.0
[M+H-H2O]+ 173.032960 139.3
[M+HCOO]- 235.033901 157.4
[M+CH3COO]- 249.049551 183.4
[M+Na-2H]- 211.010366 145.6
[M]+ 190.03515142 157.2
[M]- 190.03624858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.