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

740
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 130.1
[M+Na]+ 188.98855 141.2
[M-H]- 164.99205 132.2
[M+NH4]+ 184.03315 153.7
[M+K]+ 204.96249 131.2
[M+H-H2O]+ 148.99659 131.8
[M+HCOO]- 210.99753 148.9
[M+CH3COO]- 225.01318 175.0
[M+Na-2H]- 186.97400 138.6
[M]+ 165.99878 148.3
[M]- 165.99988 148.3
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