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

753
Patents

165.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.006606 130.1
[M+Na]+ 188.988548 141.2
[M-H]- 164.992054 132.2
[M+NH4]+ 184.033153 153.7
[M+K]+ 204.962488 131.2
[M+H-H2O]+ 148.996590 131.8
[M+HCOO]- 210.997531 148.9
[M+CH3COO]- 225.013181 175.0
[M+Na-2H]- 186.973996 138.6
[M]+ 165.99878142 148.3
[M]- 165.99987858 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