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

95
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 128.7
[M+Na]+ 184.99363 139.5
[M-H]- 160.99713 131.9
[M+NH4]+ 180.03823 153.0
[M+K]+ 200.96757 129.4
[M+H-H2O]+ 145.00167 129.9
[M+HCOO]- 207.00261 149.2
[M+CH3COO]- 221.01826 178.2
[M+Na-2H]- 182.97908 135.7
[M]+ 162.00386 147.0
[M]- 162.00496 147.0
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