CID 137944415

4-bromo-2,2-dimethylpent-4-en-1-ol

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(C)(CC(=C)Br)CO
InChI
InChI=1S/C7H13BrO/c1-6(8)4-7(2,3)5-9/h9H,1,4-5H2,2-3H3
InChIKey
UDXMWZIORWAMMF-UHFFFAOYSA-N
Compound name
4-bromo-2,2-dimethylpent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 136.4
[M+Na]+ 215.00420 137.1
[M+NH4]+ 210.04880 140.4
[M+K]+ 230.97814 138.4
[M-H]- 191.00770 133.8
[M+Na-2H]- 212.98965 136.7
[M]+ 192.01443 134.4
[M]- 192.01553 134.4
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

No patent data available for this compound.