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]+ 191.04298 138.0
[M+Na]+ 213.02492 148.8
[M-H]- 189.02842 141.1
[M+NH4]+ 208.06952 161.5
[M+K]+ 228.99886 138.0
[M+H-H2O]+ 173.03296 139.3
[M+HCOO]- 235.03390 157.4
[M+CH3COO]- 249.04955 183.4
[M+Na-2H]- 211.01037 145.6
[M]+ 190.03515 157.2
[M]- 190.03625 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.