CID 13237176

1-bromo-3-methylidenepentane

Structural Information

Molecular Formula
C6H11Br
SMILES
CCC(=C)CCBr
InChI
InChI=1S/C6H11Br/c1-3-6(2)4-5-7/h2-5H2,1H3
InChIKey
HXLKPGIKMOTKCC-UHFFFAOYSA-N
Compound name
1-bromo-3-methylidenepentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

162.00441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 128.0
[M+Na]+ 184.99363 130.1
[M+NH4]+ 180.03823 133.2
[M+K]+ 200.96757 130.0
[M-H]- 160.99713 127.0
[M+Na-2H]- 182.97908 129.8
[M]+ 162.00386 126.7
[M]- 162.00496 126.7
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

patents stripe