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 137.8
[M+Na]+ 215.00420 148.2
[M-H]- 191.00770 139.6
[M+NH4]+ 210.04880 160.3
[M+K]+ 230.97814 137.4
[M+H-H2O]+ 175.01224 139.2
[M+HCOO]- 237.01318 155.3
[M+CH3COO]- 251.02883 180.5
[M+Na-2H]- 212.98965 144.1
[M]+ 192.01443 155.4
[M]- 192.01553 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.