CID 317068

2-bromo-3,3-dimethylbut-1-ene

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(C)(C)C(=C)Br
InChI
InChI=1S/C6H11Br/c1-5(7)6(2,3)4/h1H2,2-4H3
InChIKey
XGMLKGHOPUBSND-UHFFFAOYSA-N
Compound name
2-bromo-3,3-dimethylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 127.8
[M+Na]+ 184.99363 129.7
[M+NH4]+ 180.03823 132.8
[M+K]+ 200.96757 130.6
[M-H]- 160.99713 126.2
[M+Na-2H]- 182.97908 129.5
[M]+ 162.00386 126.4
[M]- 162.00496 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe