CID 13237176

Pentane, 1-bromo-3-methylene-

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

77
Patents

162.00441 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 128.7
[M+Na]+ 184.993628 139.5
[M-H]- 160.997134 131.9
[M+NH4]+ 180.038233 153.0
[M+K]+ 200.967568 129.4
[M+H-H2O]+ 145.001670 129.9
[M+HCOO]- 207.002611 149.2
[M+CH3COO]- 221.018261 178.2
[M+Na-2H]- 182.979076 135.7
[M]+ 162.00386142 147.0
[M]- 162.00495858 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