CID 11147895

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

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(=C(C)CBr)C
InChI
InChI=1S/C6H11Br/c1-5(2)6(3)4-7/h4H2,1-3H3
InChIKey
FOJZHDBSZUMAHU-UHFFFAOYSA-N
Compound name
1-bromo-2,3-dimethylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
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 129.3
[M+Na]+ 184.99363 140.0
[M-H]- 160.99713 132.6
[M+NH4]+ 180.03823 153.7
[M+K]+ 200.96757 130.3
[M+H-H2O]+ 145.00167 130.6
[M+HCOO]- 207.00261 148.9
[M+CH3COO]- 221.01826 178.4
[M+Na-2H]- 182.97908 135.1
[M]+ 162.00386 146.9
[M]- 162.00496 146.9
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