CID 543679

5-bromo-4,4-dimethylpent-1-ene

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C)(CC=C)CBr
InChI
InChI=1S/C7H13Br/c1-4-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3
InChIKey
NZQONOFBCJGOEI-UHFFFAOYSA-N
Compound name
5-bromo-4,4-dimethylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.3
[M+Na]+ 199.00929 144.5
[M-H]- 175.01279 136.6
[M+NH4]+ 194.05389 157.3
[M+K]+ 214.98323 134.0
[M+H-H2O]+ 159.01733 134.9
[M+HCOO]- 221.01827 153.0
[M+CH3COO]- 235.03392 180.6
[M+Na-2H]- 196.99474 141.5
[M]+ 176.01952 152.1
[M]- 176.02062 152.1
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