CID 142501

3-bromo-2,2-dimethyl-1-propanol

Structural Information

Molecular Formula
C5H11BrO
SMILES
CC(C)(CO)CBr
InChI
InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
InChIKey
KQOQXYPZBYTICM-UHFFFAOYSA-N
Compound name
3-bromo-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

644
Patents

165.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 129.7
[M+Na]+ 188.98855 131.1
[M+NH4]+ 184.03315 134.3
[M+K]+ 204.96249 132.2
[M-H]- 164.99205 127.6
[M+Na-2H]- 186.97400 131.0
[M]+ 165.99878 128.0
[M]- 165.99988 128.0
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