CID 638973

1-bromo-4,4-dimethylpent-2-ene

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C)(C)/C=C/CBr
InChI
InChI=1S/C7H13Br/c1-7(2,3)5-4-6-8/h4-5H,6H2,1-3H3/b5-4+
InChIKey
INKPIDICTIUUHE-SNAWJCMRSA-N
Compound name
(E)-1-bromo-4,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 133.6
[M+Na]+ 199.009288 145.0
[M-H]- 175.012794 137.0
[M+NH4]+ 194.053893 157.8
[M+K]+ 214.983228 134.5
[M+H-H2O]+ 159.017330 135.3
[M+HCOO]- 221.018271 153.4
[M+CH3COO]- 235.033921 179.3
[M+Na-2H]- 196.994736 141.8
[M]+ 176.01952142 152.3
[M]- 176.02061858 152.3
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