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]+ 193.022256 137.8
[M+Na]+ 215.004198 148.2
[M-H]- 191.007704 139.6
[M+NH4]+ 210.048803 160.3
[M+K]+ 230.978138 137.4
[M+H-H2O]+ 175.012240 139.2
[M+HCOO]- 237.013181 155.3
[M+CH3COO]- 251.028831 180.5
[M+Na-2H]- 212.989646 144.1
[M]+ 192.01443142 155.4
[M]- 192.01552858 155.4
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.